CID 24192

1h-azepine-1-ethanol, hexahydro-beta-phenyl-

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CCCN(CC1)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C14H21NO/c16-12-14(13-8-4-3-5-9-13)15-10-6-1-2-7-11-15/h3-5,8-9,14,16H,1-2,6-7,10-12H2
InChIKey
BDEMAQMSIJJOEY-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 151.7
[M+Na]+ 242.15153 161.1
[M+NH4]+ 237.19613 159.3
[M+K]+ 258.12547 155.9
[M-H]- 218.15503 154.6
[M+Na-2H]- 240.13698 158.4
[M]+ 219.16176 153.8
[M]- 219.16286 153.8
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.