CID 3056665

1,2-dehydro tramadol

Structural Information

Molecular Formula
C16H23NO
SMILES
CN(C)CC1=C(CCCC1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H23NO/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3/h6,8-9,11H,4-5,7,10,12H2,1-3H3
InChIKey
FBIKAGZLTPYSQW-UHFFFAOYSA-N
Compound name
1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

245.17796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.3
[M+Na]+ 268.16718 172.3
[M+NH4]+ 263.21178 168.8
[M+K]+ 284.14112 164.2
[M-H]- 244.17068 165.2
[M+Na-2H]- 266.15263 167.8
[M]+ 245.17741 162.9
[M]- 245.17851 162.9
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