CID 581393

2-chloro-5-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

5
References

3960
Patents

127.018875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02615 119.9
[M+Na]+ 150.00809 135.5
[M+NH4]+ 145.05270 130.1
[M+K]+ 165.98203 127.7
[M-H]- 126.01160 122.7
[M+Na-2H]- 147.99354 129.1
[M]+ 127.01833 123.3
[M]- 127.01942 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe