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]+ 250.180156 159.8
[M+Na]+ 272.162098 161.4
[M-H]- 248.165604 162.4
[M+NH4]+ 267.206703 174.6
[M+K]+ 288.136038 158.2
[M+H-H2O]+ 232.170140 152.6
[M+HCOO]- 294.171081 175.9
[M+CH3COO]- 308.186731 193.0
[M+Na-2H]- 270.147546 160.6
[M]+ 249.17233142 152.5
[M]- 249.17342858 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.