CID 10397869

N3-benzylpyridine-2,3-diamine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1=CC=C(C=C1)CNC2=C(N=CC=C2)N
InChI
InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14)
InChIKey
MUKAGFLFIMVSQN-UHFFFAOYSA-N
Compound name
3-N-benzylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

105
Patents

199.11095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 142.4
[M+Na]+ 222.100168 149.3
[M-H]- 198.103674 147.4
[M+NH4]+ 217.144773 159.3
[M+K]+ 238.074108 145.0
[M+H-H2O]+ 182.108210 134.2
[M+HCOO]- 244.109151 167.7
[M+CH3COO]- 258.124801 154.9
[M+Na-2H]- 220.085616 150.9
[M]+ 199.11040142 139.4
[M]- 199.11149858 139.4
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