CID 688218

(s)-(+)-2-hydroxy-4-phthalimidobutyric acid

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

77
Patents

249.06372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.070996 151.6
[M+Na]+ 272.052938 159.7
[M-H]- 248.056444 152.5
[M+NH4]+ 267.097543 168.9
[M+K]+ 288.026878 156.9
[M+H-H2O]+ 232.060980 146.0
[M+HCOO]- 294.061921 169.6
[M+CH3COO]- 308.077571 189.1
[M+Na-2H]- 270.038386 153.0
[M]+ 249.06317142 152.6
[M]- 249.06426858 152.6
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