CID 11669

2,3,3-trimethyl-1-butene

Structural Information

Molecular Formula

C₇H₁₄

SMILES

CC(=C)C(C)(C)C

InChI

InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3

InChIKey

AUYRUAVCWOAHQN-UHFFFAOYSA-N

Compound name

2,3,3-trimethylbut-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 947
Patents: 98.10955 Da
Monoisotopic Mass: 3.4
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]+	99.116826	122.5
[M+Na]+	121.09877	133.4
[M+NH4]+	116.14337	131.3
[M+K]+	137.07271	128.1
[M-H]-	97.102274	122.2
[M+Na-2H]-	119.08422	126.9
[M]+	98.109001	124.0
[M]-	98.110099	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe