CID 66677943

1004529-30-9

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)C1=NC2=C(N1)CC(CC2)C(=O)O
InChI
InChI=1S/C11H16N2O2/c1-6(2)10-12-8-4-3-7(11(14)15)5-9(8)13-10/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
MJAHJHYFXIFVHK-UHFFFAOYSA-N
Compound name
2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 148.3
[M+Na]+ 231.11041 154.8
[M-H]- 207.11391 147.2
[M+NH4]+ 226.15501 166.0
[M+K]+ 247.08435 151.7
[M+H-H2O]+ 191.11845 141.9
[M+HCOO]- 253.11939 162.9
[M+CH3COO]- 267.13504 183.0
[M+Na-2H]- 229.09586 149.3
[M]+ 208.12064 144.6
[M]- 208.12174 144.6
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