CID 170917056

Butyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C15H18ClNO3
SMILES
CCCCOC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H18ClNO3/c1-2-3-8-20-15(19)11-9-14(18)17(10-11)13-6-4-12(16)5-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKey
DOASDWWPTJJQAC-UHFFFAOYSA-N
Compound name
butyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09753 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10481 167.4
[M+Na]+ 318.08675 175.2
[M-H]- 294.09025 172.5
[M+NH4]+ 313.13135 184.2
[M+K]+ 334.06069 170.6
[M+H-H2O]+ 278.09479 160.4
[M+HCOO]- 340.09573 183.4
[M+CH3COO]- 354.11138 200.0
[M+Na-2H]- 316.07220 166.7
[M]+ 295.09698 170.7
[M]- 295.09808 170.7
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.