CID 73232334

N-(3-carboxy-3-hydroxypropyl)-l-homoserine, 9ci

Structural Information

Molecular Formula
C8H15NO6
SMILES
C(CNC(CCO)C(=O)O)C(C(=O)O)O
InChI
InChI=1S/C8H15NO6/c10-4-2-5(7(12)13)9-3-1-6(11)8(14)15/h5-6,9-11H,1-4H2,(H,12,13)(H,14,15)
InChIKey
YVTYLIZWVFUUMH-UHFFFAOYSA-N
Compound name
4-[(1-carboxy-3-hydroxypropyl)amino]-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

221.08994 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09722 148.8
[M+Na]+ 244.07916 152.3
[M+NH4]+ 239.12376 151.2
[M+K]+ 260.05310 152.9
[M-H]- 220.08266 142.8
[M+Na-2H]- 242.06461 146.1
[M]+ 221.08939 146.6
[M]- 221.09049 146.6
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