CID 334004

Nsc338194

Structural Information

Molecular Formula
C4H8N4O5
SMILES
C(=O)(C(C(=O)O)(NN=C(N)N)O)O
InChI
InChI=1S/C4H8N4O5/c5-3(6)7-8-4(13,1(9)10)2(11)12/h8,13H,(H,9,10)(H,11,12)(H4,5,6,7)
InChIKey
XOADNSVLZONKFX-UHFFFAOYSA-N
Compound name
2-[2-(diaminomethylidene)hydrazinyl]-2-hydroxypropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04947 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05675 134.4
[M+Na]+ 215.03869 138.3
[M-H]- 191.04219 131.3
[M+NH4]+ 210.08329 149.8
[M+K]+ 231.01263 139.1
[M+H-H2O]+ 175.04673 128.4
[M+HCOO]- 237.04767 155.6
[M+CH3COO]- 251.06332 186.5
[M+Na-2H]- 213.02414 137.5
[M]+ 192.04892 128.1
[M]- 192.05002 128.1
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

No patent data available for this compound.