CID 83972358

2408974-92-3

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC1=NC2=C(N1CC(=O)O)C=CC(=C2)N(C)C
InChI
InChI=1S/C12H15N3O2/c1-8-13-10-6-9(14(2)3)4-5-11(10)15(8)7-12(16)17/h4-6H,7H2,1-3H3,(H,16,17)
InChIKey
BVPLCOXNROQZNR-UHFFFAOYSA-N
Compound name
2-[5-(dimethylamino)-2-methylbenzimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 151.2
[M+Na]+ 256.10564 163.1
[M+NH4]+ 251.15024 158.1
[M+K]+ 272.07958 160.1
[M-H]- 232.10914 151.9
[M+Na-2H]- 254.09109 156.0
[M]+ 233.11587 152.9
[M]- 233.11697 152.9
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.