CID 137332171

3-[1-(ethylamino)cyclohexyl]phenol

Structural Information

Molecular Formula
C14H21NO
SMILES
CCNC1(CCCCC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-2-15-14(9-4-3-5-10-14)12-7-6-8-13(16)11-12/h6-8,11,15-16H,2-5,9-10H2,1H3
InChIKey
MIKNPNLBFHVMKK-UHFFFAOYSA-N
Compound name
3-[1-(ethylamino)cyclohexyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 151.7
[M+Na]+ 242.151528 155.8
[M-H]- 218.155034 156.2
[M+NH4]+ 237.196133 170.7
[M+K]+ 258.125468 152.4
[M+H-H2O]+ 202.159570 145.0
[M+HCOO]- 264.160511 171.5
[M+CH3COO]- 278.176161 188.0
[M+Na-2H]- 240.136976 157.0
[M]+ 219.16176142 146.0
[M]- 219.16285858 146.0
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

No patent data available for this compound.