CID 157010705

Deoxymethoxetamine

Structural Information

Molecular Formula
C15H21NO
SMILES
CCNC1(CCCCC1=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C15H21NO/c1-3-16-15(10-5-4-9-14(15)17)13-8-6-7-12(2)11-13/h6-8,11,16H,3-5,9-10H2,1-2H3
InChIKey
WIMLPRYZJQNQLE-UHFFFAOYSA-N
Compound name
2-(ethylamino)-2-(3-methylphenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

231.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 154.0
[M+Na]+ 254.15153 159.4
[M-H]- 230.15503 160.1
[M+NH4]+ 249.19613 173.6
[M+K]+ 270.12547 156.0
[M+H-H2O]+ 214.15957 147.2
[M+HCOO]- 276.16051 175.2
[M+CH3COO]- 290.17616 193.9
[M+Na-2H]- 252.13698 158.6
[M]+ 231.16176 150.2
[M]- 231.16286 150.2
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

patents stripe