CID 112150

7-methoxy-3,7-dimethyloctanenitrile

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CC(CCCC(C)(C)OC)CC#N

InChI

InChI=1S/C11H21NO/c1-10(7-9-12)6-5-8-11(2,3)13-4/h10H,5-8H2,1-4H3

InChIKey

IUVOEDXVVOJVDB-UHFFFAOYSA-N

Compound name

7-methoxy-3,7-dimethyloctanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 183.16231 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]+	184.16959	143.2
[M+Na]+	206.15153	152.1
[M+NH4]+	201.19613	147.1
[M+K]+	222.12547	144.0
[M-H]-	182.15503	135.2
[M+Na-2H]-	204.13698	144.0
[M]+	183.16176	141.3
[M]-	183.16286	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe