CID 3020614

3-methyldecanenitrile

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CCCCCCCC(C)CC#N

InChI

InChI=1S/C11H21N/c1-3-4-5-6-7-8-11(2)9-10-12/h11H,3-9H2,1-2H3

InChIKey

MIKYASNSDCJESJ-UHFFFAOYSA-N

Compound name

3-methyldecanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 167.1674 Da
Monoisotopic Mass: 4.5
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]+	168.174676	138.6
[M+Na]+	190.156618	145.7
[M-H]-	166.160124	138.9
[M+NH4]+	185.201223	157.5
[M+K]+	206.130558	144.4
[M+H-H2O]+	150.164660	127.1
[M+HCOO]-	212.165601	156.8
[M+CH3COO]-	226.181251	196.5
[M+Na-2H]-	188.142066	142.3
[M]+	167.16685142	136.2
[M]-	167.16794858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe