CID 18428619

6-methoxy-3-methyl-2,3,4,5-tetrahydropyridine

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1CCC(=NC1)OC
InChI
InChI=1S/C7H13NO/c1-6-3-4-7(9-2)8-5-6/h6H,3-5H2,1-2H3
InChIKey
ZCKHQKFILUFNHV-UHFFFAOYSA-N
Compound name
6-methoxy-3-methyl-2,3,4,5-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 125.8
[M+Na]+ 150.08894 133.1
[M-H]- 126.09244 128.0
[M+NH4]+ 145.13354 147.0
[M+K]+ 166.06288 132.7
[M+H-H2O]+ 110.09698 119.9
[M+HCOO]- 172.09792 147.2
[M+CH3COO]- 186.11357 171.1
[M+Na-2H]- 148.07439 132.5
[M]+ 127.09917 124.4
[M]- 127.10027 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe