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

27
Patents

141.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 129.5
[M+Na]+ 164.10459 137.2
[M-H]- 140.10809 131.9
[M+NH4]+ 159.14919 152.1
[M+K]+ 180.07853 136.9
[M+H-H2O]+ 124.11263 124.2
[M+HCOO]- 186.11357 150.5
[M+CH3COO]- 200.12922 173.7
[M+Na-2H]- 162.09004 136.8
[M]+ 141.11482 128.8
[M]- 141.11592 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