CID 18428520

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

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1(CCN=C(C1)OC)C
InChI
InChI=1S/C8H15NO/c1-8(2)4-5-9-7(6-8)10-3/h4-6H2,1-3H3
InChIKey
VKYNVFGIWMMQRK-UHFFFAOYSA-N
Compound name
6-methoxy-4,4-dimethyl-3,5-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

141.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 129.5
[M+Na]+ 164.104588 137.2
[M-H]- 140.108094 131.9
[M+NH4]+ 159.149193 152.1
[M+K]+ 180.078528 136.9
[M+H-H2O]+ 124.112630 124.2
[M+HCOO]- 186.113571 150.5
[M+CH3COO]- 200.129221 173.7
[M+Na-2H]- 162.090036 136.8
[M]+ 141.11482142 128.8
[M]- 141.11591858 128.8
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