CID 24901916

2-chloro-4-isopropylpyrimidine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC(C)C1=NC(=NC=C1)Cl
InChI
InChI=1S/C7H9ClN2/c1-5(2)6-3-4-9-7(8)10-6/h3-5H,1-2H3
InChIKey
AOZNIFQUCUSYLD-UHFFFAOYSA-N
Compound name
2-chloro-4-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
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 128.5
[M+Na]+ 179.03465 138.2
[M-H]- 155.03815 129.5
[M+NH4]+ 174.07925 147.9
[M+K]+ 195.00859 135.2
[M+H-H2O]+ 139.04269 122.3
[M+HCOO]- 201.04363 145.4
[M+CH3COO]- 215.05928 176.6
[M+Na-2H]- 177.02010 135.6
[M]+ 156.04488 130.3
[M]- 156.04598 130.3
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