CID 16768274

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

Structural Information

Molecular Formula
C10H13N3
SMILES
CC(C1=NC2=CC=CC=C2N1C)N
InChI
InChI=1S/C10H13N3/c1-7(11)10-12-8-5-3-4-6-9(8)13(10)2/h3-7H,11H2,1-2H3
InChIKey
RPQJEKDKGMFLHE-UHFFFAOYSA-N
Compound name
1-(1-methylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

175.11095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 137.1
[M+Na]+ 198.100168 147.4
[M-H]- 174.103674 139.5
[M+NH4]+ 193.144773 157.6
[M+K]+ 214.074108 144.2
[M+H-H2O]+ 158.108210 130.1
[M+HCOO]- 220.109151 160.3
[M+CH3COO]- 234.124801 150.9
[M+Na-2H]- 196.085616 143.2
[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

literature stripe

Patent stripe

patents stripe