CID 2771551

(3-isocyanopropyl)dimethylamine

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: 31
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]+	113.107326	126.7
[M+Na]+	135.089268	134.9
[M-H]-	111.092774	127.5
[M+NH4]+	130.133873	146.9
[M+K]+	151.063208	130.7
[M+H-H2O]+	95.097310	120.1
[M+HCOO]-	157.098251	147.6
[M+CH3COO]-	171.113901	181.0
[M+Na-2H]-	133.074716	133.7
[M]+	112.09950142	120.2
[M]-	112.10059858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe