CID 761201

13459-77-3

Structural Information

Molecular Formula
C12H15N4
SMILES
CC1=CC=CC=[N+]1CC2=CN=C(N=C2N)C
InChI
InChI=1S/C12H15N4/c1-9-5-3-4-6-16(9)8-11-7-14-10(2)15-12(11)13/h3-7H,8H2,1-2H3,(H2,13,14,15)/q+1
InChIKey
UKALEFDQJPYCBH-UHFFFAOYSA-N
Compound name
2-methyl-5-[(2-methylpyridin-1-ium-1-yl)methyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.12967 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13695 150.5
[M+Na]+ 238.11889 160.0
[M-H]- 214.12239 153.7
[M+NH4]+ 233.16349 164.7
[M+K]+ 254.09283 149.8
[M+H-H2O]+ 198.12693 144.0
[M+HCOO]- 260.12787 171.6
[M+CH3COO]- 274.14352 185.1
[M+Na-2H]- 236.10434 159.5
[M]+ 215.12912 148.7
[M]- 215.13022 148.7
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.