CID 64116642

2-[(propan-2-yloxy)methyl]prop-2-enoic acid

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CC(C)OCC(=C)C(=O)O

InChI

InChI=1S/C7H12O3/c1-5(2)10-4-6(3)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)

InChIKey

QZHVTGGGNRPEHC-UHFFFAOYSA-N

Compound name

2-(propan-2-yloxymethyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 144.07864 Da
Monoisotopic Mass: 0.8
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]+	145.08592	131.2
[M+Na]+	167.06786	139.7
[M+NH4]+	162.11246	137.5
[M+K]+	183.04180	136.7
[M-H]-	143.07136	128.6
[M+Na-2H]-	165.05331	132.8
[M]+	144.07809	131.2
[M]-	144.07919	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe