CID 3080540

Brn 4753792

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]+ 294.17000 171.4
[M+Na]+ 316.15194 174.2
[M-H]- 292.15544 176.8
[M+NH4]+ 311.19654 186.0
[M+K]+ 332.12588 174.2
[M+H-H2O]+ 276.15998 164.8
[M+HCOO]- 338.16092 189.6
[M+CH3COO]- 352.17657 199.3
[M+Na-2H]- 314.13739 174.4
[M]+ 293.16217 171.7
[M]- 293.16327 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.