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]+ 264.19582 160.8
[M+Na]+ 286.17776 161.1
[M-H]- 262.18126 163.9
[M+NH4]+ 281.22236 173.5
[M+K]+ 302.15170 162.6
[M+H-H2O]+ 246.18580 152.9
[M+HCOO]- 308.18674 176.3
[M+CH3COO]- 322.20239 195.0
[M+Na-2H]- 284.16321 162.9
[M]+ 263.18799 154.2
[M]- 263.18909 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.