CID 135659044

Chembl1956102

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

CCN=C(/C=N/O)N(C)C

InChI

InChI=1S/C6H13N3O/c1-4-7-6(5-8-10)9(2)3/h5,10H,4H2,1-3H3/b7-6?,8-5+

InChIKey

MBARKXJKNRDGRA-KDQPPDNESA-N

Compound name

(2E)-N'-ethyl-2-hydroxyimino-N,N-dimethylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 143.10587 Da
Monoisotopic Mass: 0.4
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]+	144.11315	131.9
[M+Na]+	166.09509	137.6
[M-H]-	142.09859	135.2
[M+NH4]+	161.13969	153.9
[M+K]+	182.06903	139.4
[M+H-H2O]+	126.10313	125.7
[M+HCOO]-	188.10407	160.3
[M+CH3COO]-	202.11972	186.9
[M+Na-2H]-	164.08054	138.0
[M]+	143.10532	133.0
[M]-	143.10642	133.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.