CID 3071823

Dihydro-5-(4-chlorophenyl)-3-(propylamino)-2(3h)-furanone hydrochloride

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
CCCNC1CC(OC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H16ClNO2/c1-2-7-15-11-8-12(17-13(11)16)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3
InChIKey
BVLINEYJNRJDCQ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 156.0
[M+Na]+ 276.07618 168.4
[M+NH4]+ 271.12078 164.6
[M+K]+ 292.05012 162.9
[M-H]- 252.07968 161.2
[M+Na-2H]- 274.06163 161.8
[M]+ 253.08641 159.4
[M]- 253.08751 159.4
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.