CID 12682962

2-(chloromethyl)-4,6-dimethylpyrimidine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC1=CC(=NC(=N1)CCl)C
InChI
InChI=1S/C7H9ClN2/c1-5-3-6(2)10-7(4-8)9-5/h3H,4H2,1-2H3
InChIKey
RVPRPXSYGUYDMT-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

156.04543 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 128.4
[M+Na]+ 179.03465 139.4
[M-H]- 155.03815 129.7
[M+NH4]+ 174.07925 148.2
[M+K]+ 195.00859 135.9
[M+H-H2O]+ 139.04269 122.4
[M+HCOO]- 201.04363 146.3
[M+CH3COO]- 215.05928 176.8
[M+Na-2H]- 177.02010 136.0
[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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