CID 83972358

2-[5-(dimethylamino)-2-methyl-1h-1,3-benzodiazol-1-yl]acetic acid dihydrochloride

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 161.2
[M-H]- 232.10914 154.3
[M+NH4]+ 251.15024 169.6
[M+K]+ 272.07958 158.9
[M+H-H2O]+ 216.11368 144.0
[M+HCOO]- 278.11462 173.9
[M+CH3COO]- 292.13027 196.2
[M+Na-2H]- 254.09109 155.4
[M]+ 233.11587 155.6
[M]- 233.11697 155.6
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

No patent data available for this compound.