CID 75480990

1282486-64-9

Structural Information

Molecular Formula

C₅H₆ClN₃O

SMILES

CN1C=C(C=N1)/C(=N/O)/Cl

InChI

InChI=1S/C5H6ClN3O/c1-9-3-4(2-7-9)5(6)8-10/h2-3,10H,1H3/b8-5-

InChIKey

KAOLPHCUMHDANC-YVMONPNESA-N

Compound name

(4Z)-N-hydroxy-1-methylpyrazole-4-carboximidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.01994 Da
Monoisotopic Mass: 1.0
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]+	160.027216	129.3
[M+Na]+	182.009158	139.1
[M-H]-	158.012664	130.6
[M+NH4]+	177.053763	149.9
[M+K]+	197.983098	136.6
[M+H-H2O]+	142.017200	122.9
[M+HCOO]-	204.018141	149.0
[M+CH3COO]-	218.033791	175.8
[M+Na-2H]-	179.994606	135.0
[M]+	159.01939142	130.8
[M]-	159.02048858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe