CID 2758646

72443-18-6

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

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

InChI

InChI=1S/C6H11N/c1-6(2,3)5-7-4/h5H2,1-3H3

InChIKey

XQBCCNOZAODMHL-UHFFFAOYSA-N

Compound name

1-isocyano-2,2-dimethylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 160
Patents: 97.08915 Da
Monoisotopic Mass: 1.6
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]+	98.096426	125.7
[M+Na]+	120.078368	135.2
[M-H]-	96.081874	125.9
[M+NH4]+	115.122973	146.5
[M+K]+	136.052308	130.2
[M+H-H2O]+	80.086410	120.5
[M+HCOO]-	142.087351	144.0
[M+CH3COO]-	156.103001	173.3
[M+Na-2H]-	118.063816	133.9
[M]+	97.08860142	118.4
[M]-	97.08969858	118.4

Literature stripe

literature stripe

Patent stripe

patents stripe