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]+ 254.15395 159.5
[M+Na]+ 276.13589 164.3
[M-H]- 252.13939 160.7
[M+NH4]+ 271.18049 167.2
[M+K]+ 292.10983 162.8
[M+H-H2O]+ 236.14393 155.0
[M+HCOO]- 298.14487 167.1
[M+CH3COO]- 312.16052 163.7
[M+Na-2H]- 274.12134 160.5
[M]+ 253.14612 158.6
[M]- 253.14722 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.