CID 593377

2-chloro-4-ethyl-6-methylpyrimidine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CCC1=NC(=NC(=C1)C)Cl
InChI
InChI=1S/C7H9ClN2/c1-3-6-4-5(2)9-7(8)10-6/h4H,3H2,1-2H3
InChIKey
QBZNYNDSHAHUFZ-UHFFFAOYSA-N
Compound name
2-chloro-4-ethyl-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

156.04543 Da
Monoisotopic Mass

2.4
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

patents stripe