CID 57568

99901-00-5

Structural Information

Molecular Formula
C12H21NO2
SMILES
CC1CCCCC1OC(=O)CCN2CC2
InChI
InChI=1S/C12H21NO2/c1-10-4-2-3-5-11(10)15-12(14)6-7-13-8-9-13/h10-11H,2-9H2,1H3
InChIKey
WHGMNYHFQIBTEA-UHFFFAOYSA-N
Compound name
(2-methylcyclohexyl) 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 150.5
[M+Na]+ 234.14645 161.8
[M+NH4]+ 229.19105 158.8
[M+K]+ 250.12039 157.3
[M-H]- 210.14995 159.2
[M+Na-2H]- 232.13190 157.5
[M]+ 211.15668 155.4
[M]- 211.15778 155.4
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.