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

0
Patents

235.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 154.3
[M+Na]+ 258.14645 158.3
[M-H]- 234.14995 158.8
[M+NH4]+ 253.19105 170.9
[M+K]+ 274.12039 155.2
[M+H-H2O]+ 218.15449 147.0
[M+HCOO]- 280.15543 174.3
[M+CH3COO]- 294.17108 191.8
[M+Na-2H]- 256.13190 157.9
[M]+ 235.15668 150.2
[M]- 235.15778 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

No patent data available for this compound.