CID 3043914

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

Structural Information

Molecular Formula
C14H19NO
SMILES
C[C@@]12CCN([C@@H]1CCC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C14H19NO/c1-14-7-8-15(2)13(14)6-4-10-3-5-11(16)9-12(10)14/h3,5,9,13,16H,4,6-8H2,1-2H3/t13-,14+/m1/s1
InChIKey
CULJYMWPWZHZKY-KGLIPLIRSA-N
Compound name
(3aR,9bS)-3,9b-dimethyl-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

217.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 150.6
[M+Na]+ 240.13589 159.0
[M-H]- 216.13939 153.3
[M+NH4]+ 235.18049 173.5
[M+K]+ 256.10983 154.5
[M+H-H2O]+ 200.14393 144.6
[M+HCOO]- 262.14487 167.0
[M+CH3COO]- 276.16052 162.7
[M+Na-2H]- 238.12134 155.0
[M]+ 217.14612 147.7
[M]- 217.14722 147.7
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.