CID 107170

2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-(2-chloro-2-propenyl)-6,11-dimethyl-

Structural Information

Molecular Formula
C17H22ClNO
SMILES
CC1C2CC3=C(C1(CCN2CC(=C)Cl)C)C=C(C=C3)O
InChI
InChI=1S/C17H22ClNO/c1-11(18)10-19-7-6-17(3)12(2)16(19)8-13-4-5-14(20)9-15(13)17/h4-5,9,12,16,20H,1,6-8,10H2,2-3H3
InChIKey
OSOLCRQDNFERCB-UHFFFAOYSA-N
Compound name
10-(2-chloroprop-2-enyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.13898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14626 168.1
[M+Na]+ 314.12820 176.1
[M-H]- 290.13170 168.5
[M+NH4]+ 309.17280 187.6
[M+K]+ 330.10214 169.4
[M+H-H2O]+ 274.13624 162.3
[M+HCOO]- 336.13718 175.4
[M+CH3COO]- 350.15283 177.9
[M+Na-2H]- 312.11365 171.3
[M]+ 291.13843 167.1
[M]- 291.13953 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.