CID 116706133

4-chloro-2-(1-methoxycyclobutyl)-6-methylpyrimidine

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
CC1=CC(=NC(=N1)C2(CCC2)OC)Cl
InChI
InChI=1S/C10H13ClN2O/c1-7-6-8(11)13-9(12-7)10(14-2)4-3-5-10/h6H,3-5H2,1-2H3
InChIKey
ZHXMAQZJJFDXNR-UHFFFAOYSA-N
Compound name
4-chloro-2-(1-methoxycyclobutyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07164 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.078916 138.8
[M+Na]+ 235.060858 148.0
[M-H]- 211.064364 142.8
[M+NH4]+ 230.105463 151.7
[M+K]+ 251.034798 147.3
[M+H-H2O]+ 195.068900 127.6
[M+HCOO]- 257.069841 154.6
[M+CH3COO]- 271.085491 188.7
[M+Na-2H]- 233.046306 145.7
[M]+ 212.07109142 150.1
[M]- 212.07218858 150.1
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

No patent data available for this compound.