CID 444972

Fumaric acid

Structural Information

Molecular Formula

C₄H₄O₄

SMILES

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

InChI

InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+

InChIKey

VZCYOOQTPOCHFL-OWOJBTEDSA-N

Compound name

(E)-but-2-enedioic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 7975
References: 284935
Patents: 116.010956 Da
Monoisotopic Mass: -0.3
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]+	117.01823	121.0
[M+Na]+	139.00017	129.4
[M+NH4]+	134.04478	126.6
[M+K]+	154.97411	127.0
[M-H]-	115.00368	117.3
[M+Na-2H]-	136.98562	122.3
[M]+	116.01041	120.5
[M]-	116.01150	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe