CID 3042928

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

Structural Information

Molecular Formula
C15H21NO
SMILES
CC[C@@]12CCN([C@@H]1CCC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C15H21NO/c1-3-15-8-9-16(2)14(15)7-5-11-4-6-12(17)10-13(11)15/h4,6,10,14,17H,3,5,7-9H2,1-2H3/t14-,15+/m1/s1
InChIKey
XKBDVGLNKLLFJS-CABCVRRESA-N
Compound name
(3aR,9bS)-9b-ethyl-3-methyl-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

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 155.2
[M+Na]+ 254.15153 163.1
[M-H]- 230.15503 157.7
[M+NH4]+ 249.19613 177.5
[M+K]+ 270.12547 158.4
[M+H-H2O]+ 214.15957 149.0
[M+HCOO]- 276.16051 171.2
[M+CH3COO]- 290.17616 166.8
[M+Na-2H]- 252.13698 159.0
[M]+ 231.16176 152.7
[M]- 231.16286 152.7
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.