CID 12984

4,4-dimethyl-1-pentene

Structural Information

Molecular Formula

C₇H₁₄

SMILES

CC(C)(C)CC=C

InChI

InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3

InChIKey

KLCNJIQZXOQYTE-UHFFFAOYSA-N

Compound name

4,4-dimethylpent-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 11075
Patents: 98.10955 Da
Monoisotopic Mass: 3.1
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]+	99.116826	122.2
[M+Na]+	121.09877	133.4
[M+NH4]+	116.14337	131.1
[M+K]+	137.07271	127.4
[M-H]-	97.102274	122.1
[M+Na-2H]-	119.08422	127.0
[M]+	98.109001	123.8
[M]-	98.110099	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe