CID 24748051

4-(2-aminoethyl)-2-cyclohexylphenol

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CCC(CC1)C2=C(C=CC(=C2)CCN)O
InChI
InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2
InChIKey
DOCCSEDGBYCYLS-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-2-cyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

219.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 151.9
[M+Na]+ 242.15153 156.0
[M-H]- 218.15503 155.9
[M+NH4]+ 237.19613 169.0
[M+K]+ 258.12547 152.0
[M+H-H2O]+ 202.15957 144.9
[M+HCOO]- 264.16051 171.1
[M+CH3COO]- 278.17616 189.0
[M+Na-2H]- 240.13698 154.4
[M]+ 219.16176 145.3
[M]- 219.16286 145.3
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