CID 4179874

75810-48-9

Structural Information

Molecular Formula
C13H13NO5
SMILES
CN1C(C(CC1=O)C(=O)O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C13H13NO5/c1-14-11(15)5-8(13(16)17)12(14)7-2-3-9-10(4-7)19-6-18-9/h2-4,8,12H,5-6H2,1H3,(H,16,17)
InChIKey
VGQOMLZXAWLUNP-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

263.07938 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 155.7
[M+Na]+ 286.06860 164.0
[M-H]- 262.07210 162.6
[M+NH4]+ 281.11320 172.2
[M+K]+ 302.04254 163.6
[M+H-H2O]+ 246.07664 150.7
[M+HCOO]- 308.07758 173.0
[M+CH3COO]- 322.09323 193.0
[M+Na-2H]- 284.05405 156.5
[M]+ 263.07883 157.3
[M]- 263.07993 157.3
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