CID 3920849

3-(1h-1,3-benzodiazol-1-yl)propan-1-amine

Structural Information

Molecular Formula
C10H13N3
SMILES
C1=CC=C2C(=C1)N=CN2CCCN
InChI
InChI=1S/C10H13N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h1-2,4-5,8H,3,6-7,11H2
InChIKey
ZPIGBNBDPBKNCO-UHFFFAOYSA-N
Compound name
3-(benzimidazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

122
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 136.0
[M+Na]+ 198.100168 145.6
[M-H]- 174.103674 137.8
[M+NH4]+ 193.144773 156.2
[M+K]+ 214.074108 141.9
[M+H-H2O]+ 158.108210 128.5
[M+HCOO]- 220.109151 160.2
[M+CH3COO]- 234.124801 149.6
[M+Na-2H]- 196.085616 144.1
[M]+ 175.11040142 137.0
[M]- 175.11149858 137.0
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