CID 94008

58260-78-9

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CC(=CCCC(=CCC(C)(C)C#N)C)C

InChI

InChI=1S/C14H23N/c1-12(2)7-6-8-13(3)9-10-14(4,5)11-15/h7,9H,6,8,10H2,1-5H3

InChIKey

NFMTVOFPAPETFY-UHFFFAOYSA-N

Compound name

2,2,5,9-tetramethyldeca-4,8-dienenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 205.18304 Da
Monoisotopic Mass: 4.7
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]+	206.19032	154.2
[M+Na]+	228.17226	161.0
[M-H]-	204.17576	154.6
[M+NH4]+	223.21686	171.7
[M+K]+	244.14620	158.6
[M+H-H2O]+	188.18030	143.0
[M+HCOO]-	250.18124	169.5
[M+CH3COO]-	264.19689	202.6
[M+Na-2H]-	226.15771	155.4
[M]+	205.18249	150.2
[M]-	205.18359	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe