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 152.1
[M+Na]+ 250.13146 159.0
[M-H]- 226.13496 157.1
[M+NH4]+ 245.17606 168.2
[M+K]+ 266.10540 154.4
[M+H-H2O]+ 210.13950 143.6
[M+HCOO]- 272.14044 176.7
[M+CH3COO]- 286.15609 196.1
[M+Na-2H]- 248.11691 158.7
[M]+ 227.14169 150.2
[M]- 227.14279 150.2
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.