CID 819992

2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CC1=CN=C(C(=C1OC)C)CCl
InChI
InChI=1S/C9H12ClNO/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4H2,1-3H3
InChIKey
SRKVJDYNPSMHJM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

448
Patents

185.06075 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 136.2
[M+Na]+ 208.04997 151.5
[M+NH4]+ 203.09457 145.3
[M+K]+ 224.02391 143.9
[M-H]- 184.05347 138.5
[M+Na-2H]- 206.03542 143.6
[M]+ 185.06020 139.4
[M]- 185.06130 139.4
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

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