CID 103943

Isononanenitrile

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC(C)CCCCCC#N

InChI

InChI=1S/C9H17N/c1-9(2)7-5-3-4-6-8-10/h9H,3-7H2,1-2H3

InChIKey

DQEFWXWJTWMWEK-UHFFFAOYSA-N

Compound name

7-methyloctanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 134
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]+	140.143376	130.6
[M+Na]+	162.125318	138.5
[M-H]-	138.128824	131.3
[M+NH4]+	157.169923	150.5
[M+K]+	178.099258	137.6
[M+H-H2O]+	122.133360	119.5
[M+HCOO]-	184.134301	149.4
[M+CH3COO]-	198.149951	191.1
[M+Na-2H]-	160.110766	135.3
[M]+	139.13555142	127.5
[M]-	139.13664858	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe