CID 205509

Dibenz(c,f)azocine-6(5h)-ethanol, 7,12-dihydro-, hydrobromide

Structural Information

Molecular Formula
C17H19NO
SMILES
C1C2=CC=CC=C2CN(CC3=CC=CC=C31)CCO
InChI
InChI=1S/C17H19NO/c19-10-9-18-12-16-7-3-1-5-14(16)11-15-6-2-4-8-17(15)13-18/h1-8,19H,9-13H2
InChIKey
ODLIAGVIBYFYDL-UHFFFAOYSA-N
Compound name
2-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 159.5
[M+Na]+ 276.135888 164.3
[M-H]- 252.139394 160.7
[M+NH4]+ 271.180493 167.2
[M+K]+ 292.109828 162.8
[M+H-H2O]+ 236.143930 155.0
[M+HCOO]- 298.144871 167.1
[M+CH3COO]- 312.160521 163.7
[M+Na-2H]- 274.121336 160.5
[M]+ 253.14612142 158.6
[M]- 253.14721858 158.6
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.