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 149.1
[M+Na]+ 242.15153 150.4
[M-H]- 218.15503 152.6
[M+NH4]+ 237.19613 163.6
[M+K]+ 258.12547 151.7
[M+H-H2O]+ 202.15957 141.9
[M+HCOO]- 264.16051 165.1
[M+CH3COO]- 278.17616 187.5
[M+Na-2H]- 240.13698 152.3
[M]+ 219.16176 140.5
[M]- 219.16286 140.5
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.