CID 641641

Dtxsid40878700

Structural Information

Molecular Formula

SMILES

CCC=NO

InChI

InChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3

InChIKey

IFDZZSXEPSSHNC-UHFFFAOYSA-N

Compound name

N-propylidenehydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1248
Patents: 73.052765 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]+	74.060041	110.6
[M+Na]+	96.041983	118.6
[M-H]-	72.045489	111.5
[M+NH4]+	91.086588	134.9
[M+K]+	112.01592	119.1
[M+H-H2O]+	56.050025	106.5
[M+HCOO]-	118.05097	136.9
[M+CH3COO]-	132.06662	163.2
[M+Na-2H]-	94.027431	119.6
[M]+	73.052216	110.7
[M]-	73.053314	110.7

Literature stripe

literature stripe

Patent stripe

patents stripe