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]+ 234.123696 151.2
[M+Na]+ 256.105638 161.2
[M-H]- 232.109144 154.3
[M+NH4]+ 251.150243 169.6
[M+K]+ 272.079578 158.9
[M+H-H2O]+ 216.113680 144.0
[M+HCOO]- 278.114621 173.9
[M+CH3COO]- 292.130271 196.2
[M+Na-2H]- 254.091086 155.4
[M]+ 233.11587142 155.6
[M]- 233.11696858 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.