CID 2771551

15586-24-0

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CN(C)CCC[N+]#[C-]

InChI

InChI=1S/C6H12N2/c1-7-5-4-6-8(2)3/h4-6H2,2-3H3

InChIKey

QFYAJJSCAMUJCH-UHFFFAOYSA-N

Compound name

3-isocyano-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 112.10005 Da
Monoisotopic Mass: 0.3
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]+	113.10733	124.6
[M+Na]+	135.08927	135.9
[M+NH4]+	130.13387	130.3
[M+K]+	151.06321	128.6
[M-H]-	111.09277	119.6
[M+Na-2H]-	133.07472	127.2
[M]+	112.09950	123.9
[M]-	112.10060	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe