CID 408379

2-((cyclohexylamino)methyl)-6-methoxyphenol

Structural Information

Molecular Formula
C14H21NO2
SMILES
COC1=CC=CC(=C1O)CNC2CCCCC2
InChI
InChI=1S/C14H21NO2/c1-17-13-9-5-6-11(14(13)16)10-15-12-7-3-2-4-8-12/h5-6,9,12,15-16H,2-4,7-8,10H2,1H3
InChIKey
OYWWPBLRDUBVQZ-UHFFFAOYSA-N
Compound name
2-[(cyclohexylamino)methyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

235.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 154.3
[M+Na]+ 258.146448 158.3
[M-H]- 234.149954 158.8
[M+NH4]+ 253.191053 170.9
[M+K]+ 274.120388 155.2
[M+H-H2O]+ 218.154490 147.0
[M+HCOO]- 280.155431 174.3
[M+CH3COO]- 294.171081 191.8
[M+Na-2H]- 256.131896 157.9
[M]+ 235.15668142 150.2
[M]- 235.15777858 150.2
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

patents stripe