CID 352648

2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)succinic acid

Structural Information

Molecular Formula
C12H9NO6
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC(=O)O)C(=O)O
InChI
InChI=1S/C12H9NO6/c14-9(15)5-8(12(18)19)13-10(16)6-3-1-2-4-7(6)11(13)17/h1-4,8H,5H2,(H,14,15)(H,18,19)
InChIKey
JHEGVHCZUULIPW-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

263.043 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05028 152.4
[M+Na]+ 286.03222 160.2
[M-H]- 262.03572 153.4
[M+NH4]+ 281.07682 168.8
[M+K]+ 302.00616 158.1
[M+H-H2O]+ 246.04026 146.9
[M+HCOO]- 308.04120 169.7
[M+CH3COO]- 322.05685 191.6
[M+Na-2H]- 284.01767 152.8
[M]+ 263.04245 153.5
[M]- 263.04355 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe