CID 22111485

70346-52-0

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CN1C=NC=C1/C=C/C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-9-5-8-4-6(9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/b3-2+
InChIKey
NMRLUTUNCWBWCC-NSCUHMNNSA-N
Compound name
(E)-3-(3-methylimidazol-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

152.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 130.3
[M+Na]+ 175.047798 139.4
[M-H]- 151.051304 130.3
[M+NH4]+ 170.092403 150.0
[M+K]+ 191.021738 137.4
[M+H-H2O]+ 135.055840 123.8
[M+HCOO]- 197.056781 152.0
[M+CH3COO]- 211.072431 171.6
[M+Na-2H]- 173.033246 134.7
[M]+ 152.05803142 130.5
[M]- 152.05912858 130.5
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

patents stripe