CID 139595710

Ns00000956

Structural Information

Molecular Formula
C17H25NO3
SMILES
CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCC(=O)C2)O
InChI
InChI=1S/C17H25NO3/c1-18(2)12-16(13-6-8-15(21-3)9-7-13)17(20)10-4-5-14(19)11-17/h6-9,16,20H,4-5,10-12H2,1-3H3
InChIKey
KDCZMJSSSRCMNP-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-hydroxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 169.5
[M+Na]+ 314.172658 173.2
[M-H]- 290.176164 175.3
[M+NH4]+ 309.217263 186.3
[M+K]+ 330.146598 171.8
[M+H-H2O]+ 274.180700 162.3
[M+HCOO]- 336.181641 188.4
[M+CH3COO]- 350.197291 205.9
[M+Na-2H]- 312.158106 170.8
[M]+ 291.18289142 168.1
[M]- 291.18398858 168.1
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.