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

8
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

literature stripe

Patent stripe

patents stripe