CID 6510130

Bicyclo(4.1.0)heptan-3-one, 4,7,7-trimethyl-, o-(2-hydroxy-3-((1-methylethyl)amino)propyl)oxime

Structural Information

Molecular Formula
C16H30N2O2
SMILES
CC\1CC2C(C2(C)C)C/C1=N/OCC(CNC(C)C)O
InChI
InChI=1S/C16H30N2O2/c1-10(2)17-8-12(19)9-20-18-15-7-14-13(6-11(15)3)16(14,4)5/h10-14,17,19H,6-9H2,1-5H3/b18-15-
InChIKey
GHSWZIUBMCEJFV-SDXDJHTJSA-N
Compound name
1-(propan-2-ylamino)-3-[(Z)-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene)amino]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.23074 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.238016 167.4
[M+Na]+ 305.219958 173.4
[M-H]- 281.223464 171.8
[M+NH4]+ 300.264563 181.5
[M+K]+ 321.193898 170.7
[M+H-H2O]+ 265.228000 162.3
[M+HCOO]- 327.228941 185.4
[M+CH3COO]- 341.244591 212.8
[M+Na-2H]- 303.205406 168.8
[M]+ 282.23019142 170.5
[M]- 282.23128858 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.