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

596
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 135.6
[M+Na]+ 208.04997 146.6
[M-H]- 184.05347 138.5
[M+NH4]+ 203.09457 155.9
[M+K]+ 224.02391 143.3
[M+H-H2O]+ 168.05801 130.4
[M+HCOO]- 230.05895 154.5
[M+CH3COO]- 244.07460 183.3
[M+Na-2H]- 206.03542 141.4
[M]+ 185.06020 140.5
[M]- 185.06130 140.5
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