CID 3079193

Dihydro-5-(4-chlorophenyl)-3-((diethylamino)methyl)-2(3h)-furanone (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
CCN(CC)CC1CC(OC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H20ClNO2/c1-3-17(4-2)10-12-9-14(19-15(12)18)11-5-7-13(16)8-6-11/h5-8,12,14H,3-4,9-10H2,1-2H3
InChIKey
PIUORBNYXQHRHK-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(diethylaminomethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11826 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 167.4
[M+Na]+ 304.10748 174.5
[M-H]- 280.11098 175.7
[M+NH4]+ 299.15208 185.2
[M+K]+ 320.08142 171.6
[M+H-H2O]+ 264.11552 161.0
[M+HCOO]- 326.11646 185.8
[M+CH3COO]- 340.13211 204.3
[M+Na-2H]- 302.09293 168.1
[M]+ 281.11771 171.2
[M]- 281.11881 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.