CID 137332171

3-[1-(ethylamino)cyclohexyl]phenol

Structural Information

Molecular Formula
C14H21NO
SMILES
CCNC1(CCCCC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-2-15-14(9-4-3-5-10-14)12-7-6-8-13(16)11-12/h6-8,11,15-16H,2-5,9-10H2,1H3
InChIKey
MIKNPNLBFHVMKK-UHFFFAOYSA-N
Compound name
3-[1-(ethylamino)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 151.7
[M+Na]+ 242.15153 155.8
[M-H]- 218.15503 156.2
[M+NH4]+ 237.19613 170.7
[M+K]+ 258.12547 152.4
[M+H-H2O]+ 202.15957 145.0
[M+HCOO]- 264.16051 171.5
[M+CH3COO]- 278.17616 188.0
[M+Na-2H]- 240.13698 157.0
[M]+ 219.16176 146.0
[M]- 219.16286 146.0
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.