CID 3060805

78282-45-8

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCCC2=O)O
InChI
InChI=1S/C12H13NO4/c1-17-10-5-4-8(7-9(10)14)12(16)13-6-2-3-11(13)15/h4-5,7,14H,2-3,6H2,1H3
InChIKey
XPLNSJFVMBLFNT-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-4-methoxybenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

235.08446 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.091736 149.8
[M+Na]+ 258.073678 157.5
[M-H]- 234.077184 154.3
[M+NH4]+ 253.118283 167.4
[M+K]+ 274.047618 155.3
[M+H-H2O]+ 218.081720 143.1
[M+HCOO]- 280.082661 170.2
[M+CH3COO]- 294.098311 187.0
[M+Na-2H]- 256.059126 150.9
[M]+ 235.08391142 149.6
[M]- 235.08500858 149.6
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