CID 6939034

Isonitrozine

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

CC(=O)/C(=N\O)/CN(C)C

InChI

InChI=1S/C6H12N2O2/c1-5(9)6(7-10)4-8(2)3/h10H,4H2,1-3H3/b7-6-

InChIKey

ZCDDZFXNXKTHTN-SREVYHEPSA-N

Compound name

(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 144.08987 Da
Monoisotopic Mass: 0.5
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]+	145.09715	131.1
[M+Na]+	167.07909	136.9
[M-H]-	143.08259	133.0
[M+NH4]+	162.12369	152.5
[M+K]+	183.05303	138.7
[M+H-H2O]+	127.08713	125.5
[M+HCOO]-	189.08807	156.3
[M+CH3COO]-	203.10372	183.6
[M+Na-2H]-	165.06454	135.2
[M]+	144.08932	132.1
[M]-	144.09042	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe