CID 82595358

2460756-57-2

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=C(N=C(N1C)C)C(=O)O
InChI
InChI=1S/C7H10N2O2/c1-4-6(7(10)11)8-5(2)9(4)3/h1-3H3,(H,10,11)
InChIKey
XBJSECKIAQRFJZ-UHFFFAOYSA-N
Compound name
1,2,5-trimethylimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 130.0
[M+Na]+ 177.06345 140.6
[M-H]- 153.06695 130.8
[M+NH4]+ 172.10805 150.3
[M+K]+ 193.03739 139.2
[M+H-H2O]+ 137.07149 124.2
[M+HCOO]- 199.07243 151.5
[M+CH3COO]- 213.08808 175.6
[M+Na-2H]- 175.04890 133.1
[M]+ 154.07368 131.8
[M]- 154.07478 131.8
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.