CID 688218

48172-10-7

Structural Information

Molecular Formula
C12H11NO5
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC[C@@H](C(=O)O)O
InChI
InChI=1S/C12H11NO5/c14-9(12(17)18)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4,9,14H,5-6H2,(H,17,18)/t9-/m0/s1
InChIKey
YWDXODQRCDEZLN-VIFPVBQESA-N
Compound name
(2S)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

249.06372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07100 153.4
[M+Na]+ 272.05294 162.5
[M+NH4]+ 267.09754 158.5
[M+K]+ 288.02688 161.3
[M-H]- 248.05644 151.3
[M+Na-2H]- 270.03839 154.4
[M]+ 249.06317 153.5
[M]- 249.06427 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

No literature data available for this compound.

Patent stripe

patents stripe