CID 9567570

5-thiazolecarboxaldehyde, 2-nitro-, oxime

Structural Information

Molecular Formula

C₄H₃N₃O₃S

SMILES

C1=C(SC(=N1)[N+](=O)[O-])/C=N/O

InChI

InChI=1S/C4H3N3O3S/c8-6-2-3-1-5-4(11-3)7(9)10/h1-2,8H/b6-2+

InChIKey

ZJZURASMAIWLAP-QHHAFSJGSA-N

Compound name

(NE)-N-[(2-nitro-1,3-thiazol-5-yl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 172.98952 Da
Monoisotopic Mass: 1.2
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]+	173.99680	129.2
[M+Na]+	195.97874	137.6
[M-H]-	171.98224	132.4
[M+NH4]+	191.02334	149.2
[M+K]+	211.95268	131.9
[M+H-H2O]+	155.98678	127.4
[M+HCOO]-	217.98772	151.9
[M+CH3COO]-	232.00337	170.2
[M+Na-2H]-	193.96419	135.6
[M]+	172.98897	128.9
[M]-	172.99007	128.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.