CID 12501987

2-chloro-4,5,6-trimethylpyrimidine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC1=C(N=C(N=C1C)Cl)C
InChI
InChI=1S/C7H9ClN2/c1-4-5(2)9-7(8)10-6(4)3/h1-3H3
InChIKey
RGEZZAHULVFHET-UHFFFAOYSA-N
Compound name
2-chloro-4,5,6-trimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
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

literature stripe

Patent stripe

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