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

15
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 125.8
[M+Na]+ 150.088938 133.1
[M-H]- 126.092444 128.0
[M+NH4]+ 145.133543 147.0
[M+K]+ 166.062878 132.7
[M+H-H2O]+ 110.096980 119.9
[M+HCOO]- 172.097921 147.2
[M+CH3COO]- 186.113571 171.1
[M+Na-2H]- 148.074386 132.5
[M]+ 127.09917142 124.4
[M]- 127.10026858 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