CID 3011558

2,5-diisopropyl-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)C1=C(N=C(N1)C(C)C)C(=O)O
InChI
InChI=1S/C10H16N2O2/c1-5(2)7-8(10(13)14)12-9(11-7)6(3)4/h5-6H,1-4H3,(H,11,12)(H,13,14)
InChIKey
GTBNSVZGMABLHP-UHFFFAOYSA-N
Compound name
2,5-di(propan-2-yl)-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.12119 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 145.4
[M+Na]+ 219.11041 152.8
[M-H]- 195.11391 144.1
[M+NH4]+ 214.15501 162.8
[M+K]+ 235.08435 150.8
[M+H-H2O]+ 179.11845 139.2
[M+HCOO]- 241.11939 162.4
[M+CH3COO]- 255.13504 182.8
[M+Na-2H]- 217.09586 144.7
[M]+ 196.12064 144.7
[M]- 196.12174 144.7
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

No patent data available for this compound.