CID 159383084

1-isocyano-2,2-dimethoxypropane

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(C[N+]#[C-])(OC)OC

InChI

InChI=1S/C6H11NO2/c1-6(8-3,9-4)5-7-2/h5H2,1,3-4H3

InChIKey

IVTVYNFNUHGOJC-UHFFFAOYSA-N

Compound name

1-isocyano-2,2-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.07898 Da
Monoisotopic Mass: 0.0
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]+	130.086256	130.7
[M+Na]+	152.068198	140.0
[M-H]-	128.071704	130.8
[M+NH4]+	147.112803	150.2
[M+K]+	168.042138	135.8
[M+H-H2O]+	112.076240	125.0
[M+HCOO]-	174.077181	149.5
[M+CH3COO]-	188.092831	177.2
[M+Na-2H]-	150.053646	139.1
[M]+	129.07843142	125.9
[M]-	129.07952858	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.