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]+ 220.16959 153.2
[M+Na]+ 242.15153 156.2
[M-H]- 218.15503 156.9
[M+NH4]+ 237.19613 171.6
[M+K]+ 258.12547 152.8
[M+H-H2O]+ 202.15957 146.5
[M+HCOO]- 264.16051 171.4
[M+CH3COO]- 278.17616 187.2
[M+Na-2H]- 240.13698 156.9
[M]+ 219.16176 145.5
[M]- 219.16286 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.