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]+ 191.037256 140.3
[M+Na]+ 213.019198 145.9
[M-H]- 189.022704 137.7
[M+NH4]+ 208.063803 158.5
[M+K]+ 228.993138 143.9
[M+H-H2O]+ 173.027240 135.5
[M+HCOO]- 235.028181 153.7
[M+CH3COO]- 249.043831 176.0
[M+Na-2H]- 211.004646 139.1
[M]+ 190.02943142 141.9
[M]- 190.03052858 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.