CID 408357

2-cyclohexylaminomethyl-phenol

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CCC(CC1)NCC2=CC=CC=C2O
InChI
InChI=1S/C13H19NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h4-6,9,12,14-15H,1-3,7-8,10H2
InChIKey
XVAKOBDEONKIIK-UHFFFAOYSA-N
Compound name
2-[(cyclohexylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

205.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 146.6
[M+Na]+ 228.135888 150.2
[M-H]- 204.139394 150.9
[M+NH4]+ 223.180493 164.2
[M+K]+ 244.109828 146.7
[M+H-H2O]+ 188.143930 139.6
[M+HCOO]- 250.144871 166.8
[M+CH3COO]- 264.160521 185.5
[M+Na-2H]- 226.121336 151.5
[M]+ 205.14612142 140.3
[M]- 205.14721858 140.3
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