CID 62343094

1801616-85-2

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

COCCOC/C=C/C(=O)O

InChI

InChI=1S/C7H12O4/c1-10-5-6-11-4-2-3-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2+

InChIKey

LSVMUVOLQCXHMU-NSCUHMNNSA-N

Compound name

(E)-4-(2-methoxyethoxy)but-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.07356 Da
Monoisotopic Mass: -0.2
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]+	161.080836	133.1
[M+Na]+	183.062778	139.9
[M-H]-	159.066284	131.9
[M+NH4]+	178.107383	153.2
[M+K]+	199.036718	139.6
[M+H-H2O]+	143.070820	128.4
[M+HCOO]-	205.071761	155.5
[M+CH3COO]-	219.087411	173.8
[M+Na-2H]-	181.048226	138.0
[M]+	160.07301142	136.6
[M]-	160.07410858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe