CID 138464

5343-02-2

Structural Information

Molecular Formula
C8H12N2O6
SMILES
C(CC(=O)O)C(=O)NNC(=O)CCC(=O)O
InChI
InChI=1S/C8H12N2O6/c11-5(1-3-7(13)14)9-10-6(12)2-4-8(15)16/h1-4H2,(H,9,11)(H,10,12)(H,13,14)(H,15,16)
InChIKey
LWMZMSTWHMTCOP-UHFFFAOYSA-N
Compound name
4-[2-(3-carboxypropanoyl)hydrazinyl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.06953 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07681 148.8
[M+Na]+ 255.05875 152.5
[M-H]- 231.06225 146.0
[M+NH4]+ 250.10335 163.9
[M+K]+ 271.03269 152.7
[M+H-H2O]+ 215.06679 142.6
[M+HCOO]- 277.06773 169.1
[M+CH3COO]- 291.08338 189.0
[M+Na-2H]- 253.04420 149.4
[M]+ 232.06898 148.2
[M]- 232.07008 148.2
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