CID 62231698

1-(isoindoline-2-carbonyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1CC1(C(=O)N2CC3=CC=CC=C3C2)C(=O)O
InChI
InChI=1S/C13H13NO3/c15-11(13(5-6-13)12(16)17)14-7-9-3-1-2-4-10(9)8-14/h1-4H,5-8H2,(H,16,17)
InChIKey
RENDIPWTRHVRMG-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroisoindole-2-carbonyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 155.6
[M+Na]+ 254.07876 167.6
[M+NH4]+ 249.12336 165.1
[M+K]+ 270.05270 163.7
[M-H]- 230.08226 163.9
[M+Na-2H]- 252.06421 163.6
[M]+ 231.08899 160.8
[M]- 231.09009 160.8
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.