CID 37021

34971-18-1

Structural Information

Molecular Formula
C15H18ClNO3
SMILES
CCN(CC)C(=O)C1(CCC(=O)O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H18ClNO3/c1-3-17(4-2)14(19)15(10-9-13(18)20-15)11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKey
YQTMZJPFDZVGNM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N,N-diethyl-5-oxooxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09753 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10481 167.3
[M+Na]+ 318.08675 174.5
[M-H]- 294.09025 175.8
[M+NH4]+ 313.13135 186.2
[M+K]+ 334.06069 172.3
[M+H-H2O]+ 278.09479 161.7
[M+HCOO]- 340.09573 185.3
[M+CH3COO]- 354.11138 204.1
[M+Na-2H]- 316.07220 169.1
[M]+ 295.09698 171.2
[M]- 295.09808 171.2
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.