CID 12600391

4-chloro-2,5,6-trimethylpyrimidine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC1=C(N=C(N=C1Cl)C)C
InChI
InChI=1S/C7H9ClN2/c1-4-5(2)9-6(3)10-7(4)8/h1-3H3
InChIKey
DIZOLBAICJZMSH-UHFFFAOYSA-N
Compound name
4-chloro-2,5,6-trimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

156.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 128.0
[M+Na]+ 179.03465 139.9
[M-H]- 155.03815 129.7
[M+NH4]+ 174.07925 148.2
[M+K]+ 195.00859 136.4
[M+H-H2O]+ 139.04269 122.3
[M+HCOO]- 201.04363 145.9
[M+CH3COO]- 215.05928 178.0
[M+Na-2H]- 177.02010 134.9
[M]+ 156.04488 131.1
[M]- 156.04598 131.1
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