CID 16631

Smb 514

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C(C1=CC=C(C=C1)O)O)NC2CCCCC2
InChI
InChI=1S/C15H23NO2/c1-11(16-13-5-3-2-4-6-13)15(18)12-7-9-14(17)10-8-12/h7-11,13,15-18H,2-6H2,1H3
InChIKey
RVCFDYFCYVBHKW-UHFFFAOYSA-N
Compound name
4-[2-(cyclohexylamino)-1-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 159.8
[M+Na]+ 272.16210 161.4
[M-H]- 248.16560 162.4
[M+NH4]+ 267.20670 174.6
[M+K]+ 288.13604 158.2
[M+H-H2O]+ 232.17014 152.6
[M+HCOO]- 294.17108 175.9
[M+CH3COO]- 308.18673 193.0
[M+Na-2H]- 270.14755 160.6
[M]+ 249.17233 152.5
[M]- 249.17343 152.5
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.