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]+ 228.149516 152.1
[M+Na]+ 250.131458 159.0
[M-H]- 226.134964 157.1
[M+NH4]+ 245.176063 168.2
[M+K]+ 266.105398 154.4
[M+H-H2O]+ 210.139500 143.6
[M+HCOO]- 272.140441 176.7
[M+CH3COO]- 286.156091 196.1
[M+Na-2H]- 248.116906 158.7
[M]+ 227.14169142 150.2
[M]- 227.14278858 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.