CID 31183

1-aziridinepropionic acid, 2-(dimethylamino)ethyl ester

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CN(C)CCOC(=O)CCN1CC1
InChI
InChI=1S/C9H18N2O2/c1-10(2)7-8-13-9(12)3-4-11-5-6-11/h3-8H2,1-2H3
InChIKey
WKNXZJRXLOXUOB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 147.3
[M+Na]+ 209.12605 154.7
[M-H]- 185.12955 151.5
[M+NH4]+ 204.17065 161.4
[M+K]+ 225.09999 153.7
[M+H-H2O]+ 169.13409 139.7
[M+HCOO]- 231.13503 170.5
[M+CH3COO]- 245.15068 191.7
[M+Na-2H]- 207.11150 151.3
[M]+ 186.13628 153.2
[M]- 186.13738 153.2
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.