CID 3011560

2,5-ditert-butyl-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)C1=C(N=C(N1)C(C)(C)C)C(=O)O
InChI
InChI=1S/C12H20N2O2/c1-11(2,3)8-7(9(15)16)13-10(14-8)12(4,5)6/h1-6H3,(H,13,14)(H,15,16)
InChIKey
UBMYAUFDEGIFCQ-UHFFFAOYSA-N
Compound name
2,5-ditert-butyl-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.15248 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 154.6
[M+Na]+ 247.14170 162.5
[M-H]- 223.14520 153.6
[M+NH4]+ 242.18630 171.4
[M+K]+ 263.11564 160.1
[M+H-H2O]+ 207.14974 149.4
[M+HCOO]- 269.15068 169.7
[M+CH3COO]- 283.16633 186.4
[M+Na-2H]- 245.12715 157.1
[M]+ 224.15193 154.7
[M]- 224.15303 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.