CID 2779747

2-[(2z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Structural Information

Molecular Formula
C7H10N2O3S
SMILES
CN=C1N(C(=O)C(S1)CC(=O)O)C
InChI
InChI=1S/C7H10N2O3S/c1-8-7-9(2)6(12)4(13-7)3-5(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKey
JYCIIMYFSHYOEI-UHFFFAOYSA-N
Compound name
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

202.04121 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04849 141.6
[M+Na]+ 225.03043 150.1
[M-H]- 201.03393 144.5
[M+NH4]+ 220.07503 161.8
[M+K]+ 241.00437 148.3
[M+H-H2O]+ 185.03847 136.0
[M+HCOO]- 247.03941 159.1
[M+CH3COO]- 261.05506 184.6
[M+Na-2H]- 223.01588 140.8
[M]+ 202.04066 143.3
[M]- 202.04176 143.3
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.