CID 80949381

4-chloro-2-cyclopropyl-6-methoxypyrimidine

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
COC1=CC(=NC(=N1)C2CC2)Cl
InChI
InChI=1S/C8H9ClN2O/c1-12-7-4-6(9)10-8(11-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
ZCGKRSQYMJSBOX-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-6-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.04034 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 140.0
[M+Na]+ 207.029558 151.9
[M-H]- 183.033064 144.9
[M+NH4]+ 202.074163 153.5
[M+K]+ 223.003498 147.4
[M+H-H2O]+ 167.037600 132.4
[M+HCOO]- 229.038541 158.4
[M+CH3COO]- 243.054191 183.6
[M+Na-2H]- 205.015006 146.6
[M]+ 184.03979142 145.1
[M]- 184.04088858 145.1
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

patents stripe