CID 121553401

{1-[amino(phenyl)methyl]cyclohexyl}methanol hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CCC(CC1)(CO)C(C2=CC=CC=C2)N
InChI
InChI=1S/C14H21NO/c15-13(12-7-3-1-4-8-12)14(11-16)9-5-2-6-10-14/h1,3-4,7-8,13,16H,2,5-6,9-11,15H2
InChIKey
RHSYYPIQBHUJEE-UHFFFAOYSA-N
Compound name
[1-[amino(phenyl)methyl]cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 153.2
[M+Na]+ 242.151528 156.2
[M-H]- 218.155034 156.9
[M+NH4]+ 237.196133 171.6
[M+K]+ 258.125468 152.8
[M+H-H2O]+ 202.159570 146.5
[M+HCOO]- 264.160511 171.4
[M+CH3COO]- 278.176161 187.2
[M+Na-2H]- 240.136976 156.9
[M]+ 219.16176142 145.5
[M]- 219.16285858 145.5
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.