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 152.4
[M+Na]+ 262.12023 159.0
[M-H]- 238.12373 156.2
[M+NH4]+ 257.16483 169.3
[M+K]+ 278.09417 157.8
[M+H-H2O]+ 222.12827 146.7
[M+HCOO]- 284.12921 170.0
[M+CH3COO]- 298.14486 163.6
[M+Na-2H]- 260.10568 160.0
[M]+ 239.13046 148.8
[M]- 239.13156 148.8
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.