CID 23064

2-cyclohexylamino-1-phenylethanol

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CCC(CC1)NCC(C2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO/c16-14(12-7-3-1-4-8-12)11-15-13-9-5-2-6-10-13/h1,3-4,7-8,13-16H,2,5-6,9-11H2
InChIKey
ISYFTHDLBGNHQW-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

17
Patents

219.16231 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 151.6
[M+Na]+ 242.15153 153.5
[M-H]- 218.15503 155.4
[M+NH4]+ 237.19613 168.2
[M+K]+ 258.12547 150.2
[M+H-H2O]+ 202.15957 144.2
[M+HCOO]- 264.16051 170.4
[M+CH3COO]- 278.17616 188.2
[M+Na-2H]- 240.13698 155.4
[M]+ 219.16176 144.6
[M]- 219.16286 144.6
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.