CID 20298856

68740-33-0

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CCCN1C(=NC2=C1C=CC(=C2)C(=O)O)C
InChI
InChI=1S/C12H14N2O2/c1-3-6-14-8(2)13-10-7-9(12(15)16)4-5-11(10)14/h4-5,7H,3,6H2,1-2H3,(H,15,16)
InChIKey
LRHJEZOOBANSGC-UHFFFAOYSA-N
Compound name
2-methyl-1-propylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

218.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 147.6
[M+Na]+ 241.094748 158.4
[M-H]- 217.098254 149.2
[M+NH4]+ 236.139353 166.3
[M+K]+ 257.068688 154.7
[M+H-H2O]+ 201.102790 140.9
[M+HCOO]- 263.103731 168.7
[M+CH3COO]- 277.119381 187.8
[M+Na-2H]- 239.080196 152.0
[M]+ 218.10498142 151.4
[M]- 218.10607858 151.4
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