CID 57574

99901-06-1

Structural Information

Molecular Formula
C14H25NO2
SMILES
CC1CC(CC(C1)(C)C)OC(=O)CCN2CC2
InChI
InChI=1S/C14H25NO2/c1-11-8-12(10-14(2,3)9-11)17-13(16)4-5-15-6-7-15/h11-12H,4-10H2,1-3H3
InChIKey
FIZYQWPPYSBTPE-UHFFFAOYSA-N
Compound name
(3,3,5-trimethylcyclohexyl) 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.18852 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.19580 158.9
[M+Na]+ 262.17774 170.4
[M+NH4]+ 257.22234 168.3
[M+K]+ 278.15168 164.1
[M-H]- 238.18124 167.8
[M+Na-2H]- 260.16319 166.7
[M]+ 239.18797 164.2
[M]- 239.18907 164.2
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.