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]+ 212.164506 153.2
[M+Na]+ 234.146448 159.2
[M-H]- 210.149954 158.2
[M+NH4]+ 229.191053 165.7
[M+K]+ 250.120388 156.9
[M+H-H2O]+ 194.154490 145.4
[M+HCOO]- 256.155431 171.3
[M+CH3COO]- 270.171081 190.1
[M+Na-2H]- 232.131896 155.2
[M]+ 211.15668142 153.4
[M]- 211.15777858 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.