CID 91917

55897-64-8

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC(C)C(C)(C#N)C(C)C

InChI

InChI=1S/C9H17N/c1-7(2)9(5,6-10)8(3)4/h7-8H,1-5H3

InChIKey

XSQHUYDRSDBCHN-UHFFFAOYSA-N

Compound name

2,3-dimethyl-2-propan-2-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 139.1361 Da
Monoisotopic Mass: 3.0
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]+	140.14338	132.7
[M+Na]+	162.12532	142.1
[M+NH4]+	157.16992	137.3
[M+K]+	178.09926	134.7
[M-H]-	138.12882	125.1
[M+Na-2H]-	160.11077	134.0
[M]+	139.13555	131.0
[M]-	139.13665	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe