CID 60399

110054-13-2

Structural Information

Molecular Formula
C14H21NO3
SMILES
C1CCC(CC1)NCC(C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C14H21NO3/c16-12-7-6-10(8-13(12)17)14(18)9-15-11-4-2-1-3-5-11/h6-8,11,14-18H,1-5,9H2
InChIKey
JHEJWYODFKSDQF-UHFFFAOYSA-N
Compound name
4-[2-(cyclohexylamino)-1-hydroxyethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.0
[M+Na]+ 274.14137 160.7
[M-H]- 250.14487 159.7
[M+NH4]+ 269.18597 172.3
[M+K]+ 290.11531 157.1
[M+H-H2O]+ 234.14941 151.2
[M+HCOO]- 296.15035 174.2
[M+CH3COO]- 310.16600 190.1
[M+Na-2H]- 272.12682 159.5
[M]+ 251.15160 151.0
[M]- 251.15270 151.0
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.