CID 3071823

139084-75-6

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]+ 254.094236 157.9
[M+Na]+ 276.076178 165.8
[M-H]- 252.079684 165.1
[M+NH4]+ 271.120783 176.3
[M+K]+ 292.050118 162.0
[M+H-H2O]+ 236.084220 152.1
[M+HCOO]- 298.085161 176.6
[M+CH3COO]- 312.100811 194.9
[M+Na-2H]- 274.061626 160.5
[M]+ 253.08641142 159.8
[M]- 253.08750858 159.8
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.