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]+ 283.23802 167.4
[M+Na]+ 305.21996 173.4
[M-H]- 281.22346 171.8
[M+NH4]+ 300.26456 181.5
[M+K]+ 321.19390 170.7
[M+H-H2O]+ 265.22800 162.3
[M+HCOO]- 327.22894 185.4
[M+CH3COO]- 341.24459 212.8
[M+Na-2H]- 303.20541 168.8
[M]+ 282.23019 170.5
[M]- 282.23129 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.