CID 6399134

Streptozotocin cofactor

Structural Information

Molecular Formula

C₅H₇N₃O₃

SMILES

C(=C/NC(=O)/C=N/O)\C(=O)N

InChI

InChI=1S/C5H7N3O3/c6-4(9)1-2-7-5(10)3-8-11/h1-3,11H,(H2,6,9)(H,7,10)/b2-1+,8-3+

InChIKey

QSQKMLSXKVSYMJ-URUMLEIASA-N

Compound name

(E)-3-[[(2E)-2-hydroxyiminoacetyl]amino]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.04874 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	158.05602	130.6
[M+Na]+	180.03796	136.4
[M-H]-	156.04146	130.6
[M+NH4]+	175.08256	149.9
[M+K]+	196.01190	135.9
[M+H-H2O]+	140.04600	124.6
[M+HCOO]-	202.04694	156.6
[M+CH3COO]-	216.06259	180.6
[M+Na-2H]-	178.02341	135.2
[M]+	157.04819	127.8
[M]-	157.04929	127.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.