CID 4379477

2-(2-methyl-1h-1,3-benzodiazol-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C10H13N3
SMILES
CC1=NC2=CC=CC=C2N1CCN
InChI
InChI=1S/C10H13N3/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-5H,6-7,11H2,1H3
InChIKey
UREWYRDRWNMMAZ-UHFFFAOYSA-N
Compound name
2-(2-methylbenzimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

175.11095 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 136.4
[M+Na]+ 198.100168 147.0
[M-H]- 174.103674 138.7
[M+NH4]+ 193.144773 157.0
[M+K]+ 214.074108 143.3
[M+H-H2O]+ 158.108210 129.3
[M+HCOO]- 220.109151 160.7
[M+CH3COO]- 234.124801 150.4
[M+Na-2H]- 196.085616 143.7
[M]+ 175.11040142 137.9
[M]- 175.11149858 137.9
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

patents stripe