CID 10855485

52745-92-3

Structural Information

Molecular Formula
C4H5NO4
SMILES
COC(=O)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C4H5NO4/c1-9-4(6)2-3-5(7)8/h2-3H,1H3/b3-2+
InChIKey
OVZCRDHFYPVIRT-NSCUHMNNSA-N
Compound name
methyl (E)-3-nitroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

131.02185 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02913 122.3
[M+Na]+ 154.01107 130.1
[M-H]- 130.01457 123.1
[M+NH4]+ 149.05567 143.5
[M+K]+ 169.98501 126.7
[M+H-H2O]+ 114.01911 122.6
[M+HCOO]- 176.02005 148.0
[M+CH3COO]- 190.03570 163.5
[M+Na-2H]- 151.99652 130.1
[M]+ 131.02130 122.4
[M]- 131.02240 122.4
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