CID 6484200

2-[2-(propan-2-yl)-1h-imidazol-1-yl]acetic acid

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CC(C)C1=NC=CN1CC(=O)O
InChI
InChI=1S/C8H12N2O2/c1-6(2)8-9-3-4-10(8)5-7(11)12/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKey
GDYODZVJBGCMLU-UHFFFAOYSA-N
Compound name
2-(2-propan-2-ylimidazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

168.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 136.0
[M+Na]+ 191.079088 144.0
[M-H]- 167.082594 135.9
[M+NH4]+ 186.123693 155.0
[M+K]+ 207.053028 142.9
[M+H-H2O]+ 151.087130 129.4
[M+HCOO]- 213.088071 156.2
[M+CH3COO]- 227.103721 177.1
[M+Na-2H]- 189.064536 138.7
[M]+ 168.08932142 136.7
[M]- 168.09041858 136.7
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