CID 4533987

63675-21-8

Structural Information

Molecular Formula
C12H12ClNO4
SMILES
COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C12H12ClNO4/c1-18-10-3-2-8(13)5-9(10)14-6-7(12(16)17)4-11(14)15/h2-3,5,7H,4,6H2,1H3,(H,16,17)
InChIKey
QLLPDFKYJGBZCA-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

269.04547 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05275 155.6
[M+Na]+ 292.03469 164.8
[M-H]- 268.03819 160.2
[M+NH4]+ 287.07929 172.8
[M+K]+ 308.00863 160.8
[M+H-H2O]+ 252.04273 149.7
[M+HCOO]- 314.04367 171.3
[M+CH3COO]- 328.05932 192.7
[M+Na-2H]- 290.02014 155.6
[M]+ 269.04492 157.9
[M]- 269.04602 157.9
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