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

597
Patents

127.018875 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02615 119.4
[M+Na]+ 150.00809 129.8
[M-H]- 126.01160 122.0
[M+NH4]+ 145.05270 141.4
[M+K]+ 165.98203 126.7
[M+H-H2O]+ 110.01614 114.4
[M+HCOO]- 172.01708 139.0
[M+CH3COO]- 186.03273 170.0
[M+Na-2H]- 147.99354 128.3
[M]+ 127.01833 120.9
[M]- 127.01942 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