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

1
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

patents stripe