CID 2757709

4-chloro-3-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3733
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 119.9
[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

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Patent stripe

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