CID 116880948

(2e)-3-(4-methyl-1h-imidazol-2-yl)prop-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=CN=C(N1)/C=C/C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-5-4-8-6(9-5)2-3-7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)/b3-2+
InChIKey
QCVBYLRDAJIZQU-NSCUHMNNSA-N
Compound name
(E)-3-(5-methyl-1H-imidazol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 131.3
[M+Na]+ 175.047798 139.9
[M-H]- 151.051304 129.9
[M+NH4]+ 170.092403 150.3
[M+K]+ 191.021738 137.0
[M+H-H2O]+ 135.055840 125.0
[M+HCOO]- 197.056781 151.5
[M+CH3COO]- 211.072431 169.1
[M+Na-2H]- 173.033246 135.2
[M]+ 152.05803142 129.5
[M]- 152.05912858 129.5
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

No patent data available for this compound.