CID 45082652

2344681-11-2

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CC(C)(C)N1C=C(N=C1)C(=O)O
InChI
InChI=1S/C8H12N2O2/c1-8(2,3)10-4-6(7(11)12)9-5-10/h4-5H,1-3H3,(H,11,12)
InChIKey
DTJJWXQHIDFPEW-UHFFFAOYSA-N
Compound name
1-tert-butylimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

168.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 136.3
[M+Na]+ 191.07909 145.0
[M-H]- 167.08259 136.5
[M+NH4]+ 186.12369 155.6
[M+K]+ 207.05303 143.9
[M+H-H2O]+ 151.08713 130.4
[M+HCOO]- 213.08807 155.9
[M+CH3COO]- 227.10372 175.9
[M+Na-2H]- 189.06454 141.0
[M]+ 168.08932 137.0
[M]- 168.09042 137.0
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