CID 3077848

Brn 5347239

Structural Information

Molecular Formula
C15H20ClNO4
SMILES
CC1(OCCO1)C(CCO)C(=O)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H20ClNO4/c1-15(20-8-9-21-15)13(6-7-18)14(19)17-10-11-2-4-12(16)5-3-11/h2-5,13,18H,6-10H2,1H3,(H,17,19)
InChIKey
MXWDNAYECKOVLI-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1081 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11538 171.5
[M+Na]+ 336.09732 180.9
[M+NH4]+ 331.14192 179.3
[M+K]+ 352.07126 176.3
[M-H]- 312.10082 175.8
[M+Na-2H]- 334.08277 176.1
[M]+ 313.10755 174.2
[M]- 313.10865 174.2
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

No patent data available for this compound.