CID 91636087

1592679-07-6

Structural Information

Molecular Formula
C12H13N3
SMILES
CC1=CC(=CN=C1)NCC2=CC=NC=C2
InChI
InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3
InChIKey
CKIRWILOFLBVIB-UHFFFAOYSA-N
Compound name
5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11095 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 143.5
[M+Na]+ 222.10017 151.1
[M-H]- 198.10367 147.4
[M+NH4]+ 217.14477 159.5
[M+K]+ 238.07411 147.1
[M+H-H2O]+ 182.10821 134.5
[M+HCOO]- 244.10915 166.9
[M+CH3COO]- 258.12480 155.9
[M+Na-2H]- 220.08562 152.6
[M]+ 199.11040 142.5
[M]- 199.11150 142.5
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.