CID 439406

O-succinyl-l-homoserine

Structural Information

Molecular Formula
C8H13NO6
SMILES
C(COC(=O)CCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1
InChIKey
GNISQJGXJIDKDJ-YFKPBYRVSA-N
Compound name
(2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

978
Patents

219.07428 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08156 146.7
[M+Na]+ 242.06350 151.0
[M-H]- 218.06700 143.3
[M+NH4]+ 237.10810 162.4
[M+K]+ 258.03744 151.3
[M+H-H2O]+ 202.07154 141.0
[M+HCOO]- 264.07248 165.2
[M+CH3COO]- 278.08813 185.2
[M+Na-2H]- 240.04895 145.9
[M]+ 219.07373 146.9
[M]- 219.07483 146.9
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