CID 87375177

2-[methyl(nitroso)amino]propan-1-ol

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

CC(CO)N(C)N=O

InChI

InChI=1S/C4H10N2O2/c1-4(3-7)6(2)5-8/h4,7H,3H2,1-2H3

InChIKey

IDXYJHDLHQNPOD-UHFFFAOYSA-N

Compound name

N-(1-hydroxypropan-2-yl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 118.07423 Da
Monoisotopic Mass: -0.1
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]+	119.08151	122.6
[M+Na]+	141.06345	129.0
[M-H]-	117.06695	124.6
[M+NH4]+	136.10805	145.1
[M+K]+	157.03739	131.4
[M+H-H2O]+	101.07149	117.2
[M+HCOO]-	163.07243	149.2
[M+CH3COO]-	177.08808	178.2
[M+Na-2H]-	139.04890	129.0
[M]+	118.07368	124.2
[M]-	118.07478	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe