CID 135473011

Hms1445g02

Structural Information

Molecular Formula

C₅H₆ClN₃O

SMILES

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

InChI

InChI=1S/C5H6ClN3O/c1-9-3-4(6)5(8-9)2-7-10/h2-3,10H,1H3/b7-2+

InChIKey

MLDFEGQJZBGSMQ-FARCUNLSSA-N

Compound name

(NE)-N-[(4-chloro-1-methylpyrazol-3-yl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.01994 Da
Monoisotopic Mass: 0.9
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	129.0
[M+Na]+	182.009158	139.9
[M-H]-	158.012664	130.5
[M+NH4]+	177.053763	149.9
[M+K]+	197.983098	137.0
[M+H-H2O]+	142.017200	122.8
[M+HCOO]-	204.018141	149.6
[M+CH3COO]-	218.033791	176.1
[M+Na-2H]-	179.994606	135.2
[M]+	159.01939142	131.4
[M]-	159.02048858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.