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]+ 128.070606 130.2
[M+Na]+ 150.052548 139.9
[M-H]- 126.056054 133.6
[M+NH4]+ 145.097153 146.3
[M+K]+ 166.026488 138.1
[M+H-H2O]+ 110.060590 123.7
[M+HCOO]- 172.061531 153.0
[M+CH3COO]- 186.077181 173.6
[M+Na-2H]- 148.037996 136.2
[M]+ 127.06278142 133.7
[M]- 127.06387858 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.