CID 3077949

Brn 4758745

Structural Information

Molecular Formula
C16H20ClNO3
SMILES
CCCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H20ClNO3/c1-2-3-4-11-21-15-10-9-14(19)18(15)16(20)12-5-7-13(17)8-6-12/h5-8,15H,2-4,9-11H2,1H3
InChIKey
NJWDIISBVSAXEV-UHFFFAOYSA-N
Compound name
1-(4-chlorobenzoyl)-5-pentoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.11316 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12044 172.1
[M+Na]+ 332.10238 179.3
[M-H]- 308.10588 176.9
[M+NH4]+ 327.14698 188.2
[M+K]+ 348.07632 174.5
[M+H-H2O]+ 292.11042 164.8
[M+HCOO]- 354.11136 187.7
[M+CH3COO]- 368.12701 203.0
[M+Na-2H]- 330.08783 170.8
[M]+ 309.11261 175.6
[M]- 309.11371 175.6
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

patents stripe