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 140.6
[M+Na]+ 205.05030 152.1
[M-H]- 181.05380 145.2
[M+NH4]+ 200.09490 154.2
[M+K]+ 221.02424 147.1
[M+H-H2O]+ 165.05834 132.9
[M+HCOO]- 227.05928 158.5
[M+CH3COO]- 241.07493 184.6
[M+Na-2H]- 203.03575 146.8
[M]+ 182.06053 144.6
[M]- 182.06163 144.6
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