CID 16795489

[2-(1h-1,3-benzodiazol-1-yl)pyridin-3-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC=C2C(=C1)N=CN2C3=C(C=CC=N3)CN
InChI
InChI=1S/C13H12N4/c14-8-10-4-3-7-15-13(10)17-9-16-11-5-1-2-6-12(11)17/h1-7,9H,8,14H2
InChIKey
GXJFRPGUUIVNAL-UHFFFAOYSA-N
Compound name
[2-(benzimidazol-1-yl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.1062 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 148.2
[M+Na]+ 247.09542 158.8
[M-H]- 223.09892 152.3
[M+NH4]+ 242.14002 164.8
[M+K]+ 263.06936 153.2
[M+H-H2O]+ 207.10346 138.9
[M+HCOO]- 269.10440 171.4
[M+CH3COO]- 283.12005 161.0
[M+Na-2H]- 245.08087 156.3
[M]+ 224.10565 148.7
[M]- 224.10675 148.7
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.