CID 1580633

(2z)-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-ylidene)acetic acid

Structural Information

Molecular Formula
C8H9NO4S
SMILES
CCCN1C(=O)/C(=C/C(=O)O)/SC1=O
InChI
InChI=1S/C8H9NO4S/c1-2-3-9-7(12)5(4-6(10)11)14-8(9)13/h4H,2-3H2,1H3,(H,10,11)/b5-4-
InChIKey
AVKQRVWJCAALFZ-PLNGDYQASA-N
Compound name
(2Z)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

215.02522 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03250 144.4
[M+Na]+ 238.01444 153.0
[M-H]- 214.01794 145.7
[M+NH4]+ 233.05904 163.5
[M+K]+ 253.98838 150.2
[M+H-H2O]+ 198.02248 139.4
[M+HCOO]- 260.02342 159.5
[M+CH3COO]- 274.03907 181.4
[M+Na-2H]- 235.99989 142.3
[M]+ 215.02467 146.1
[M]- 215.02577 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.