CID 20552945

2172606-97-0

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C/C(=C\C1=CN=CN1)/C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-5(7(10)11)2-6-3-8-4-9-6/h2-4H,1H3,(H,8,9)(H,10,11)/b5-2+
InChIKey
LNBPXCLZHOKDEU-GORDUTHDSA-N
Compound name
(E)-3-(1H-imidazol-5-yl)-2-methylprop-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]+ 153.06586 132.7
[M+Na]+ 175.04780 141.8
[M+NH4]+ 170.09240 138.5
[M+K]+ 191.02174 140.1
[M-H]- 151.05130 130.4
[M+Na-2H]- 173.03325 135.9
[M]+ 152.05803 132.8
[M]- 152.05913 132.8
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.