CID 2762797

3-chloro-2-methylpyridine

Structural Information

Molecular Formula
C6H6ClN
SMILES
CC1=C(C=CC=N1)Cl
InChI
InChI=1S/C6H6ClN/c1-5-6(7)3-2-4-8-5/h2-4H,1H3
InChIKey
YSEYOMUPVMGJPP-UHFFFAOYSA-N
Compound name
3-chloro-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1769
Patents

127.018875 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe