CID 139595151

Ns00000924

Structural Information

Molecular Formula
C16H23NO3
SMILES
CN(C)CC1C(=O)CCCC1(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C16H23NO3/c1-17(2)11-14-15(18)8-5-9-16(14,19)12-6-4-7-13(10-12)20-3/h4,6-7,10,14,19H,5,8-9,11H2,1-3H3
InChIKey
GUZREWBYXXOEKB-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 164.3
[M+Na]+ 300.15702 169.6
[M-H]- 276.16052 170.6
[M+NH4]+ 295.20162 182.0
[M+K]+ 316.13096 167.9
[M+H-H2O]+ 260.16506 157.3
[M+HCOO]- 322.16600 184.5
[M+CH3COO]- 336.18165 203.2
[M+Na-2H]- 298.14247 166.7
[M]+ 277.16725 163.6
[M]- 277.16835 163.6
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.