CID 3060376

78070-05-0

Structural Information

Molecular Formula
C11H12N4
SMILES
C1=CN=CC=C1CNC2=C(C=NC=C2)N
InChI
InChI=1S/C11H12N4/c12-10-8-14-6-3-11(10)15-7-9-1-4-13-5-2-9/h1-6,8H,7,12H2,(H,14,15)
InChIKey
GIMWYWKTDWPTNX-UHFFFAOYSA-N
Compound name
4-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.1062 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 142.5
[M+Na]+ 223.09542 149.8
[M-H]- 199.09892 146.2
[M+NH4]+ 218.14002 157.9
[M+K]+ 239.06936 145.6
[M+H-H2O]+ 183.10346 133.5
[M+HCOO]- 245.10440 166.8
[M+CH3COO]- 259.12005 154.6
[M+Na-2H]- 221.08087 151.7
[M]+ 200.10565 139.6
[M]- 200.10675 139.6
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.