CID 32216

1-aziridinepropionic acid, 2-methoxyethyl ester

Structural Information

Molecular Formula
C8H15NO3
SMILES
COCCOC(=O)CCN1CC1
InChI
InChI=1S/C8H15NO3/c1-11-6-7-12-8(10)2-3-9-4-5-9/h2-7H2,1H3
InChIKey
QQCGDQRRPBVSAI-UHFFFAOYSA-N
Compound name
2-methoxyethyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 143.0
[M+Na]+ 196.09442 151.4
[M-H]- 172.09792 145.9
[M+NH4]+ 191.13902 157.2
[M+K]+ 212.06836 150.0
[M+H-H2O]+ 156.10246 135.9
[M+HCOO]- 218.10340 165.1
[M+CH3COO]- 232.11905 182.8
[M+Na-2H]- 194.07987 147.9
[M]+ 173.10465 149.4
[M]- 173.10575 149.4
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.