CID 92492

2,6-methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C14H19NO
SMILES
C[C@]12CCN([C@H](C1)CC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C14H19NO/c1-14-5-6-15(2)11(9-14)7-10-3-4-12(16)8-13(10)14/h3-4,8,11,16H,5-7,9H2,1-2H3/t11-,14-/m0/s1
InChIKey
SGPDQCOZBVOUMT-FZMZJTMJSA-N
Compound name
(1S,9R)-1,10-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

0
References

17
Patents

217.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 150.2
[M+Na]+ 240.135888 157.9
[M-H]- 216.139394 151.1
[M+NH4]+ 235.180493 171.7
[M+K]+ 256.109828 153.5
[M+H-H2O]+ 200.143930 143.6
[M+HCOO]- 262.144871 164.0
[M+CH3COO]- 276.160521 161.4
[M+Na-2H]- 238.121336 157.3
[M]+ 217.14612142 147.0
[M]- 217.14721858 147.0
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