CID 63264838

2-(5-amino-2-methyl-1h-1,3-benzodiazol-1-yl)propan-1-ol

Structural Information

Molecular Formula
C11H15N3O
SMILES
CC1=NC2=C(N1C(C)CO)C=CC(=C2)N
InChI
InChI=1S/C11H15N3O/c1-7(6-15)14-8(2)13-10-5-9(12)3-4-11(10)14/h3-5,7,15H,6,12H2,1-2H3
InChIKey
VPDQKEHESKNPOO-UHFFFAOYSA-N
Compound name
2-(5-amino-2-methylbenzimidazol-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 145.5
[M+Na]+ 228.11072 155.7
[M-H]- 204.11422 146.8
[M+NH4]+ 223.15532 164.3
[M+K]+ 244.08466 151.9
[M+H-H2O]+ 188.11876 138.7
[M+HCOO]- 250.11970 167.1
[M+CH3COO]- 264.13535 187.9
[M+Na-2H]- 226.09617 149.9
[M]+ 205.12095 146.6
[M]- 205.12205 146.6
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.