CID 3087177

Mg 16036

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C1CCC(CC1)C2=CC=C(C=C2)O)N
InChI
InChI=1S/C14H21NO/c1-10(15)11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h6-12,16H,2-5,15H2,1H3
InChIKey
ZWKLSMBAYLSIIR-UHFFFAOYSA-N
Compound name
4-[4-(1-aminoethyl)cyclohexyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.4
[M+Na]+ 242.15153 156.2
[M-H]- 218.15503 156.4
[M+NH4]+ 237.19613 169.4
[M+K]+ 258.12547 152.7
[M+H-H2O]+ 202.15957 145.5
[M+HCOO]- 264.16051 170.5
[M+CH3COO]- 278.17616 189.9
[M+Na-2H]- 240.13698 153.6
[M]+ 219.16176 145.2
[M]- 219.16286 145.2
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.