CID 130484813

5-(chloromethyl)-4-methoxy-2-methylpyrimidine

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
CC1=NC=C(C(=N1)OC)CCl
InChI
InChI=1S/C7H9ClN2O/c1-5-9-4-6(3-8)7(10-5)11-2/h4H,3H2,1-2H3
InChIKey
SCKJKVHKYAKMKY-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-4-methoxy-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

172.04034 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.047616 131.4
[M+Na]+ 195.029558 142.3
[M-H]- 171.033064 132.7
[M+NH4]+ 190.074163 150.6
[M+K]+ 211.003498 139.3
[M+H-H2O]+ 155.037600 125.2
[M+HCOO]- 217.038541 149.6
[M+CH3COO]- 231.054191 178.8
[M+Na-2H]- 193.015006 139.0
[M]+ 172.03979142 135.6
[M]- 172.04088858 135.6
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