CID 119031977

4-chloro-2-cyclopropyl-5-methoxy-6-methylpyrimidine

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CC1=C(C(=NC(=N1)C2CC2)Cl)OC
InChI
InChI=1S/C9H11ClN2O/c1-5-7(13-2)8(10)12-9(11-5)6-3-4-6/h6H,3-4H2,1-2H3
InChIKey
ODAZCJGPBUVQPU-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-5-methoxy-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.05598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.063256 144.2
[M+Na]+ 221.045198 156.5
[M-H]- 197.048704 149.2
[M+NH4]+ 216.089803 157.5
[M+K]+ 237.019138 151.7
[M+H-H2O]+ 181.053240 136.7
[M+HCOO]- 243.054181 162.2
[M+CH3COO]- 257.069831 187.6
[M+Na-2H]- 219.030646 149.6
[M]+ 198.05543142 150.0
[M]- 198.05652858 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

patents stripe