CID 71756640

2-chloro-5-methoxy-4-methylpyridine

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CC1=CC(=NC=C1OC)Cl
InChI
InChI=1S/C7H8ClNO/c1-5-3-7(8)9-4-6(5)10-2/h3-4H,1-2H3
InChIKey
HZOALMODRBCKBL-UHFFFAOYSA-N
Compound name
2-chloro-5-methoxy-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

157.02943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 126.7
[M+Na]+ 180.01865 137.6
[M-H]- 156.02215 129.6
[M+NH4]+ 175.06325 147.9
[M+K]+ 195.99259 134.8
[M+H-H2O]+ 140.02669 121.7
[M+HCOO]- 202.02763 146.3
[M+CH3COO]- 216.04328 176.1
[M+Na-2H]- 178.00410 134.3
[M]+ 157.02888 130.5
[M]- 157.02998 130.5
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