CID 80464763

4-chloro-6-methyl-2-(1-methylcyclopropyl)pyrimidine

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1=CC(=NC(=N1)C2(CC2)C)Cl
InChI
InChI=1S/C9H11ClN2/c1-6-5-7(10)12-8(11-6)9(2)3-4-9/h5H,3-4H2,1-2H3
InChIKey
QTMMWYDZXWYFHS-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-(1-methylcyclopropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.06108 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 140.1
[M+Na]+ 205.05030 152.3
[M-H]- 181.05380 145.2
[M+NH4]+ 200.09490 155.7
[M+K]+ 221.02424 148.3
[M+H-H2O]+ 165.05834 133.4
[M+HCOO]- 227.05928 157.7
[M+CH3COO]- 241.07493 153.4
[M+Na-2H]- 203.03575 147.3
[M]+ 182.06053 144.5
[M]- 182.06163 144.5
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