CID 80484183

4-chloro-2-(cyclopropylmethyl)-6-methylpyrimidine

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1=CC(=NC(=N1)CC2CC2)Cl
InChI
InChI=1S/C9H11ClN2/c1-6-4-8(10)12-9(11-6)5-7-2-3-7/h4,7H,2-3,5H2,1H3
InChIKey
SWDXLKSMRZROJK-UHFFFAOYSA-N
Compound name
4-chloro-2-(cyclopropylmethyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.06108 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 137.2
[M+Na]+ 205.05030 153.6
[M+NH4]+ 200.09490 147.0
[M+K]+ 221.02424 147.2
[M-H]- 181.05380 147.0
[M+Na-2H]- 203.03575 148.2
[M]+ 182.06053 143.8
[M]- 182.06163 143.8
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