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 161.1
[M+Na]+ 262.17774 167.9
[M-H]- 238.18124 166.5
[M+NH4]+ 257.22234 174.7
[M+K]+ 278.15168 166.0
[M+H-H2O]+ 222.18578 154.5
[M+HCOO]- 284.18672 178.1
[M+CH3COO]- 298.20237 196.5
[M+Na-2H]- 260.16319 162.5
[M]+ 239.18797 162.8
[M]- 239.18907 162.8
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.