CID 3080540

128746-84-9

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC1(OCCO1)C(CCO)C(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C16H23NO4/c1-16(20-11-12-21-16)14(8-10-18)15(19)17-9-7-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,17,19)
InChIKey
YRGPCSISFHPNQG-UHFFFAOYSA-N
Compound name
4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)-N-(2-phenylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 171.4
[M+Na]+ 316.151938 174.2
[M-H]- 292.155444 176.8
[M+NH4]+ 311.196543 186.0
[M+K]+ 332.125878 174.2
[M+H-H2O]+ 276.159980 164.8
[M+HCOO]- 338.160921 189.6
[M+CH3COO]- 352.176571 199.3
[M+Na-2H]- 314.137386 174.4
[M]+ 293.16217142 171.7
[M]- 293.16326858 171.7
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.