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

71
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 151.6
[M+Na]+ 272.05294 159.7
[M-H]- 248.05644 152.5
[M+NH4]+ 267.09754 168.9
[M+K]+ 288.02688 156.9
[M+H-H2O]+ 232.06098 146.0
[M+HCOO]- 294.06192 169.6
[M+CH3COO]- 308.07757 189.1
[M+Na-2H]- 270.03839 153.0
[M]+ 249.06317 152.6
[M]- 249.06427 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