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 153.2
[M+Na]+ 234.14645 159.2
[M-H]- 210.14995 158.2
[M+NH4]+ 229.19105 165.7
[M+K]+ 250.12039 156.9
[M+H-H2O]+ 194.15449 145.4
[M+HCOO]- 256.15543 171.3
[M+CH3COO]- 270.17108 190.1
[M+Na-2H]- 232.13190 155.2
[M]+ 211.15668 153.4
[M]- 211.15778 153.4
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.