CID 12086047

O-succinyl-l-serinate(1-)

Structural Information

Molecular Formula
C7H11NO6
SMILES
C(CC(=O)OC[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C7H11NO6/c8-4(7(12)13)3-14-6(11)2-1-5(9)10/h4H,1-3,8H2,(H,9,10)(H,12,13)/t4-/m0/s1
InChIKey
ZAHSBRLHJRVFAU-BYPYZUCNSA-N
Compound name
4-[(2S)-2-amino-2-carboxyethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

205.05864 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06592 142.1
[M+Na]+ 228.04786 146.8
[M-H]- 204.05136 138.9
[M+NH4]+ 223.09246 158.4
[M+K]+ 244.02180 147.3
[M+H-H2O]+ 188.05590 136.6
[M+HCOO]- 250.05684 160.9
[M+CH3COO]- 264.07249 182.2
[M+Na-2H]- 226.03331 141.8
[M]+ 205.05809 141.9
[M]- 205.05919 141.9
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