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 173.4
[M+Na]+ 336.09732 178.3
[M-H]- 312.10082 179.3
[M+NH4]+ 331.14192 188.5
[M+K]+ 352.07126 176.6
[M+H-H2O]+ 296.10536 168.0
[M+HCOO]- 358.10630 187.3
[M+CH3COO]- 372.12195 201.2
[M+Na-2H]- 334.08277 175.8
[M]+ 313.10755 175.9
[M]- 313.10865 175.9
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.