CID 97120

1-aziridinepropionic acid, decyl ester

Structural Information

Molecular Formula
C15H29NO2
SMILES
CCCCCCCCCCOC(=O)CCN1CC1
InChI
InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-14-18-15(17)10-11-16-12-13-16/h2-14H2,1H3
InChIKey
PICLSMCDEFZQTO-UHFFFAOYSA-N
Compound name
decyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

255.21983 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.22711 168.9
[M+Na]+ 278.20905 174.5
[M-H]- 254.21255 170.6
[M+NH4]+ 273.25365 180.0
[M+K]+ 294.18299 171.1
[M+H-H2O]+ 238.21709 160.7
[M+HCOO]- 300.21803 188.7
[M+CH3COO]- 314.23368 201.0
[M+Na-2H]- 276.19450 170.4
[M]+ 255.21928 176.4
[M]- 255.22038 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe