CID 12434518

63364-15-8

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

CC(C)NC(=C(C)C)C#N

InChI

InChI=1S/C8H14N2/c1-6(2)8(5-9)10-7(3)4/h7,10H,1-4H3

InChIKey

OEVYDWMZOGZKIJ-UHFFFAOYSA-N

Compound name

3-methyl-2-(propan-2-ylamino)but-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.11569 Da
Monoisotopic Mass: 2.4
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]+	139.12297	134.6
[M+Na]+	161.10491	141.7
[M-H]-	137.10841	135.3
[M+NH4]+	156.14951	153.9
[M+K]+	177.07885	141.5
[M+H-H2O]+	121.11295	123.2
[M+HCOO]-	183.11389	152.7
[M+CH3COO]-	197.12954	192.6
[M+Na-2H]-	159.09036	137.0
[M]+	138.11514	128.2
[M]-	138.11624	128.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.