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]+ 183.068356 140.1
[M+Na]+ 205.050298 152.3
[M-H]- 181.053804 145.2
[M+NH4]+ 200.094903 155.7
[M+K]+ 221.024238 148.3
[M+H-H2O]+ 165.058340 133.4
[M+HCOO]- 227.059281 157.7
[M+CH3COO]- 241.074931 153.4
[M+Na-2H]- 203.035746 147.3
[M]+ 182.06053142 144.5
[M]- 182.06162858 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