CID 136386

Methyltartronic acid

Structural Information

Molecular Formula

C₄H₆O₅

SMILES

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

InChI

InChI=1S/C4H6O5/c1-4(9,2(5)6)3(7)8/h9H,1H3,(H,5,6)(H,7,8)

InChIKey

LNRVTEQEGXVMEF-UHFFFAOYSA-N

Compound name

2-hydroxy-2-methylpropanedioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 480
Patents: 134.02153 Da
Monoisotopic Mass: -1.0
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]+	135.02881	122.6
[M+Na]+	157.01075	129.8
[M-H]-	133.01425	119.3
[M+NH4]+	152.05535	142.1
[M+K]+	172.98469	129.8
[M+H-H2O]+	117.01879	119.3
[M+HCOO]-	179.01973	140.6
[M+CH3COO]-	193.03538	163.7
[M+Na-2H]-	154.99620	127.6
[M]+	134.02098	121.5
[M]-	134.02208	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe