CID 115861

Brn 0196492

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]+ 240.138286 152.4
[M+Na]+ 262.120228 159.0
[M-H]- 238.123734 156.2
[M+NH4]+ 257.164833 169.3
[M+K]+ 278.094168 157.8
[M+H-H2O]+ 222.128270 146.7
[M+HCOO]- 284.129211 170.0
[M+CH3COO]- 298.144861 163.6
[M+Na-2H]- 260.105676 160.0
[M]+ 239.13046142 148.8
[M]- 239.13155858 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.