CID 13929101

(e)-3,4,4-trimethylpent-2-enoic acid

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C/C(=C\C(=O)O)/C(C)(C)C

InChI

InChI=1S/C8H14O2/c1-6(5-7(9)10)8(2,3)4/h5H,1-4H3,(H,9,10)/b6-5+

InChIKey

NFLSFCFOAOZXFO-AATRIKPKSA-N

Compound name

(E)-3,4,4-trimethylpent-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 142.09938 Da
Monoisotopic Mass: 2.5
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]+	143.10666	132.7
[M+Na]+	165.08860	141.6
[M+NH4]+	160.13320	139.3
[M+K]+	181.06254	138.2
[M-H]-	141.09210	130.2
[M+Na-2H]-	163.07405	134.7
[M]+	142.09883	132.9
[M]-	142.09993	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe