CID 122164864

2-[(2'-methylsulfanyl)ethyl]maleate

Structural Information

Molecular Formula
C7H10O4S
SMILES
CSCC/C(=C/C(=O)O)/C(=O)O
InChI
InChI=1S/C7H10O4S/c1-12-3-2-5(7(10)11)4-6(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/b5-4-
InChIKey
FCGNCJNTFRMBQY-PLNGDYQASA-N
Compound name
(Z)-2-(2-methylsulfanylethyl)but-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

190.02998 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03726 140.3
[M+Na]+ 213.01920 145.9
[M-H]- 189.02270 137.7
[M+NH4]+ 208.06380 158.5
[M+K]+ 228.99314 143.9
[M+H-H2O]+ 173.02724 135.5
[M+HCOO]- 235.02818 153.7
[M+CH3COO]- 249.04383 176.0
[M+Na-2H]- 211.00465 139.1
[M]+ 190.02943 141.9
[M]- 190.03053 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.