CID 2762925

3-chloro-4-methylpyridine

Structural Information

Molecular Formula
C6H6ClN
SMILES
CC1=C(C=NC=C1)Cl
InChI
InChI=1S/C6H6ClN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChIKey
VLNXNJMHLZFECV-UHFFFAOYSA-N
Compound name
3-chloro-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

612
Patents

127.018875 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.026151 119.4
[M+Na]+ 150.008093 129.8
[M-H]- 126.011599 122.0
[M+NH4]+ 145.052698 141.4
[M+K]+ 165.982033 126.7
[M+H-H2O]+ 110.016135 114.4
[M+HCOO]- 172.017076 139.0
[M+CH3COO]- 186.032726 170.0
[M+Na-2H]- 147.993541 128.3
[M]+ 127.01832642 120.9
[M]- 127.01942358 120.9
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