CID 163192347

Hydroxetamine

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCNC1(CCCCC1=O)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H19NO2/c1-2-15-14(9-4-3-8-13(14)17)11-6-5-7-12(16)10-11/h5-7,10,15-16H,2-4,8-9H2,1H3
InChIKey
CQERUJSORROCGH-UHFFFAOYSA-N
Compound name
2-(ethylamino)-2-(3-hydroxyphenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 153.3
[M+Na]+ 256.13081 158.6
[M-H]- 232.13431 158.2
[M+NH4]+ 251.17541 172.0
[M+K]+ 272.10475 155.2
[M+H-H2O]+ 216.13885 146.8
[M+HCOO]- 278.13979 173.5
[M+CH3COO]- 292.15544 190.5
[M+Na-2H]- 254.11626 158.0
[M]+ 233.14104 148.8
[M]- 233.14214 148.8
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.