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

93
Patents

156.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 128.0
[M+Na]+ 179.034648 139.9
[M-H]- 155.038154 129.7
[M+NH4]+ 174.079253 148.2
[M+K]+ 195.008588 136.4
[M+H-H2O]+ 139.042690 122.3
[M+HCOO]- 201.043631 145.9
[M+CH3COO]- 215.059281 178.0
[M+Na-2H]- 177.020096 134.9
[M]+ 156.04488142 131.1
[M]- 156.04597858 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