CID 115861

63918-74-1

Structural Information

Molecular Formula
C16H17NO
SMILES
C1C2=CC=CC=C2C3=CC=CC=C3CN1CCO
InChI
InChI=1S/C16H17NO/c18-10-9-17-11-13-5-1-3-7-15(13)16-8-4-2-6-14(16)12-17/h1-8,18H,9-12H2
InChIKey
GIIAIRAIQDMTFZ-UHFFFAOYSA-N
Compound name
2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 152.5
[M+Na]+ 262.12023 165.3
[M+NH4]+ 257.16483 161.4
[M+K]+ 278.09417 158.3
[M-H]- 238.12373 155.6
[M+Na-2H]- 260.10568 159.3
[M]+ 239.13046 155.4
[M]- 239.13156 155.4
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.