CID 21953196

Aziridin-1-ium-1-carboxylate chloride

Structural Information

Molecular Formula
C3H5NO2
SMILES
C1CN1C(=O)O
InChI
InChI=1S/C3H5NO2/c5-3(6)4-1-2-4/h1-2H2,(H,5,6)
InChIKey
RLZXKARDPOFVNB-UHFFFAOYSA-N
Compound name
aziridine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

497
Patents

87.03203 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.039306 117.4
[M+Na]+ 110.021248 127.7
[M-H]- 86.024754 120.0
[M+NH4]+ 105.065853 134.4
[M+K]+ 125.995188 126.2
[M+H-H2O]+ 70.029290 111.7
[M+HCOO]- 132.030231 139.6
[M+CH3COO]- 146.045881 163.9
[M+Na-2H]- 108.006696 124.6
[M]+ 87.03148142 118.9
[M]- 87.03257858 118.9
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