CID 65817

Orb1741078

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(=NOCC(CNC(C)(C)C)O)C1CC1
InChI
InChI=1S/C12H24N2O2/c1-9(10-5-6-10)14-16-8-11(15)7-13-12(2,3)4/h10-11,13,15H,5-8H2,1-4H3
InChIKey
IYQDIWRBEQWANY-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(1-cyclopropylethylideneamino)oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

228.18378 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 153.4
[M+Na]+ 251.17300 158.8
[M-H]- 227.17650 157.4
[M+NH4]+ 246.21760 166.4
[M+K]+ 267.14694 156.8
[M+H-H2O]+ 211.18104 147.2
[M+HCOO]- 273.18198 175.0
[M+CH3COO]- 287.19763 199.8
[M+Na-2H]- 249.15845 157.0
[M]+ 228.18323 157.0
[M]- 228.18433 157.0
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.