CID 3071821

Dihydro-5-(4-chlorophenyl)-3-((1-methylethyl)amino)-2(3h)-furanone hydrochloride

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
CC(C)NC1CC(OC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H16ClNO2/c1-8(2)15-11-7-12(17-13(11)16)9-3-5-10(14)6-4-9/h3-6,8,11-12,15H,7H2,1-2H3
InChIKey
MTRCRMITYMONTC-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 158.2
[M+Na]+ 276.07618 165.8
[M-H]- 252.07968 165.6
[M+NH4]+ 271.12078 176.5
[M+K]+ 292.05012 162.5
[M+H-H2O]+ 236.08422 152.6
[M+HCOO]- 298.08516 175.8
[M+CH3COO]- 312.10081 195.8
[M+Na-2H]- 274.06163 159.6
[M]+ 253.08641 159.5
[M]- 253.08751 159.5
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.