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 159.8
[M+Na]+ 268.16718 167.3
[M-H]- 244.17068 162.0
[M+NH4]+ 263.21178 181.5
[M+K]+ 284.14112 162.3
[M+H-H2O]+ 228.17522 153.4
[M+HCOO]- 290.17616 175.5
[M+CH3COO]- 304.19181 171.0
[M+Na-2H]- 266.15263 163.1
[M]+ 245.17741 157.6
[M]- 245.17851 157.6
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.