CID 218519

1h-benz(e)indol-8-ol, 2,3,3a,4,5,9b-hexahydro-3-methyl-9b-propyl-, hydrobromide, cis-

Structural Information

Molecular Formula
C16H23NO
SMILES
CCC[C@@]12CCN([C@@H]1CCC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C16H23NO/c1-3-8-16-9-10-17(2)15(16)7-5-12-4-6-13(18)11-14(12)16/h4,6,11,15,18H,3,5,7-10H2,1-2H3/t15-,16+/m1/s1
InChIKey
QRHISRSAWRSIKS-CVEARBPZSA-N
Compound name
(3aR,9bS)-3-methyl-9b-propyl-2,3a,4,5-tetrahydro-1H-benzo[e]indol-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.5
[M+Na]+ 268.16718 171.2
[M+NH4]+ 263.21178 170.5
[M+K]+ 284.14112 163.2
[M-H]- 244.17068 161.8
[M+Na-2H]- 266.15263 164.0
[M]+ 245.17741 162.0
[M]- 245.17851 162.0
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

No patent data available for this compound.