CID 21765822

4-(tert-butoxy)but-2-enoic acid

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(C)(C)OC/C=C/C(=O)O

InChI

InChI=1S/C8H14O3/c1-8(2,3)11-6-4-5-7(9)10/h4-5H,6H2,1-3H3,(H,9,10)/b5-4+

InChIKey

UAGSSMIXRKDQLG-SNAWJCMRSA-N

Compound name

(E)-4-[(2-methylpropan-2-yl)oxy]but-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 158.0943 Da
Monoisotopic Mass: 0.9
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]+	159.10158	135.4
[M+Na]+	181.08352	144.1
[M+NH4]+	176.12812	141.5
[M+K]+	197.05746	140.4
[M-H]-	157.08702	132.5
[M+Na-2H]-	179.06897	137.3
[M]+	158.09375	135.5
[M]-	158.09485	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe