CID 114025

3-amino-4-(o-tolylethylamino)pyridine

Structural Information

Molecular Formula
C14H17N3
SMILES
CC1=CC(=CC=C1)CCNC2=C(C=NC=C2)N
InChI
InChI=1S/C14H17N3/c1-11-3-2-4-12(9-11)5-8-17-14-6-7-16-10-13(14)15/h2-4,6-7,9-10H,5,8,15H2,1H3,(H,16,17)
InChIKey
GXGGWWRJRNAGPU-UHFFFAOYSA-N
Compound name
4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.14224 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 153.3
[M+Na]+ 250.13146 166.9
[M+NH4]+ 245.17606 161.9
[M+K]+ 266.10540 158.8
[M-H]- 226.13496 158.9
[M+Na-2H]- 248.11691 163.0
[M]+ 227.14169 156.8
[M]- 227.14279 156.8
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.