CID 12877372

2-(chloromethyl)-4-methylpyrimidine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CC1=NC(=NC=C1)CCl
InChI
InChI=1S/C6H7ClN2/c1-5-2-3-8-6(4-7)9-5/h2-3H,4H2,1H3
InChIKey
KIXTVKIOVXMYGL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

142.02977 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.037046 124.0
[M+Na]+ 165.018988 134.4
[M-H]- 141.022494 125.1
[M+NH4]+ 160.063593 144.1
[M+K]+ 180.992928 131.2
[M+H-H2O]+ 125.027030 117.9
[M+HCOO]- 187.027971 142.3
[M+CH3COO]- 201.043621 172.7
[M+Na-2H]- 163.004436 132.9
[M]+ 142.02922142 126.0
[M]- 142.03031858 126.0
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

patents stripe