CID 5362892

1-aziridineacrylic acid, methyl ester

Structural Information

Molecular Formula
C6H9NO2
SMILES
COC(=O)/C=C/N1CC1
InChI
InChI=1S/C6H9NO2/c1-9-6(8)2-3-7-4-5-7/h2-3H,4-5H2,1H3/b3-2+
InChIKey
SKDFDFZPLHLQKN-NSCUHMNNSA-N
Compound name
methyl (E)-3-(aziridin-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 130.2
[M+Na]+ 150.05255 139.9
[M-H]- 126.05605 133.6
[M+NH4]+ 145.09715 146.3
[M+K]+ 166.02649 138.1
[M+H-H2O]+ 110.06059 123.7
[M+HCOO]- 172.06153 153.0
[M+CH3COO]- 186.07718 173.6
[M+Na-2H]- 148.03800 136.2
[M]+ 127.06278 133.7
[M]- 127.06388 133.7
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.