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]+ 218.153946 150.6
[M+Na]+ 240.135888 159.0
[M-H]- 216.139394 153.3
[M+NH4]+ 235.180493 173.5
[M+K]+ 256.109828 154.5
[M+H-H2O]+ 200.143930 144.6
[M+HCOO]- 262.144871 167.0
[M+CH3COO]- 276.160521 162.7
[M+Na-2H]- 238.121336 155.0
[M]+ 217.14612142 147.7
[M]- 217.14721858 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.