CID 56564

Brn 1317105

Structural Information

Molecular Formula
C16H25NO2
SMILES
C1CCCN(CC1)CCOCC(C2=CC=CC=C2)O
InChI
InChI=1S/C16H25NO2/c18-16(15-8-4-3-5-9-15)14-19-13-12-17-10-6-1-2-7-11-17/h3-5,8-9,16,18H,1-2,6-7,10-14H2
InChIKey
CMCQSFYHKWUSDP-UHFFFAOYSA-N
Compound name
2-[2-(azepan-1-yl)ethoxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 160.8
[M+Na]+ 286.177758 161.1
[M-H]- 262.181264 163.9
[M+NH4]+ 281.222363 173.5
[M+K]+ 302.151698 162.6
[M+H-H2O]+ 246.185800 152.9
[M+HCOO]- 308.186741 176.3
[M+CH3COO]- 322.202391 195.0
[M+Na-2H]- 284.163206 162.9
[M]+ 263.18799142 154.2
[M]- 263.18908858 154.2
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.