CID 165987801

2168280-83-7

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
CC1=CC(=NC(=N1)C2CC(C2)OC)Cl
InChI
InChI=1S/C10H13ClN2O/c1-6-3-9(11)13-10(12-6)7-4-8(5-7)14-2/h3,7-8H,4-5H2,1-2H3
InChIKey
PJAMMOHRWJWWEB-UHFFFAOYSA-N
Compound name
4-chloro-2-(3-methoxycyclobutyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07164 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07892 138.7
[M+Na]+ 235.06086 147.8
[M-H]- 211.06436 142.5
[M+NH4]+ 230.10546 149.9
[M+K]+ 251.03480 147.1
[M+H-H2O]+ 195.06890 126.7
[M+HCOO]- 257.06984 154.3
[M+CH3COO]- 271.08549 190.2
[M+Na-2H]- 233.04631 143.8
[M]+ 212.07109 150.0
[M]- 212.07219 150.0
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.