CID 135659025

Chembl1956103

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

CCCN=C(/C=N/O)N(C)C

InChI

InChI=1S/C7H15N3O/c1-4-5-8-7(6-9-11)10(2)3/h6,11H,4-5H2,1-3H3/b8-7?,9-6+

InChIKey

PQJWLDHHBMBKDM-JTHIGBGISA-N

Compound name

(2E)-2-hydroxyimino-N,N-dimethyl-N'-propylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 157.1215 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]+	158.12878	136.5
[M+Na]+	180.11072	141.9
[M-H]-	156.11422	139.6
[M+NH4]+	175.15532	158.0
[M+K]+	196.08466	143.4
[M+H-H2O]+	140.11876	130.1
[M+HCOO]-	202.11970	164.6
[M+CH3COO]-	216.13535	190.0
[M+Na-2H]-	178.09617	142.1
[M]+	157.12095	138.0
[M]-	157.12205	138.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.