CID 78748

2-methylpyrimidine

Structural Information

Molecular Formula
C5H6N2
SMILES
CC1=NC=CC=N1
InChI
InChI=1S/C5H6N2/c1-5-6-3-2-4-7-5/h2-4H,1H3
InChIKey
LNJMHEJAYSYZKK-UHFFFAOYSA-N
Compound name
2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7362
Patents

94.0531 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.060376 115.0
[M+Na]+ 117.04232 129.4
[M+NH4]+ 112.08692 124.3
[M+K]+ 133.01626 122.6
[M-H]- 93.045824 116.8
[M+Na-2H]- 115.02777 124.0
[M]+ 94.052551 117.6
[M]- 94.053649 117.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe