CID 9859500

149289-29-2

Structural Information

Molecular Formula
C14H21NO2
SMILES
C1CCC(CC1)(C(CN)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C14H21NO2/c15-10-13(11-4-6-12(16)7-5-11)14(17)8-2-1-3-9-14/h4-7,13,16-17H,1-3,8-10,15H2
InChIKey
BHCUWXACHAFFSK-UHFFFAOYSA-N
Compound name
4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

140
Patents

235.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 156.4
[M+Na]+ 258.146448 159.8
[M-H]- 234.149954 159.0
[M+NH4]+ 253.191053 173.7
[M+K]+ 274.120388 156.2
[M+H-H2O]+ 218.154490 150.1
[M+HCOO]- 280.155431 173.3
[M+CH3COO]- 294.171081 188.0
[M+Na-2H]- 256.131896 159.0
[M]+ 235.15668142 148.8
[M]- 235.15777858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe