CID 3033274

Alpha-imino-p-methoxybenzylmercaptoacetic acid

Structural Information

Molecular Formula
C10H11NO3S
SMILES
COC1=CC=C(C=C1)C(=N)SCC(=O)O
InChI
InChI=1S/C10H11NO3S/c1-14-8-4-2-7(3-5-8)10(11)15-6-9(12)13/h2-5,11H,6H2,1H3,(H,12,13)
InChIKey
QQQIRTZUDPJMOM-UHFFFAOYSA-N
Compound name
2-(4-methoxybenzenecarboximidoyl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04596 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05324 147.7
[M+Na]+ 248.03518 154.1
[M-H]- 224.03868 150.0
[M+NH4]+ 243.07978 165.2
[M+K]+ 264.00912 151.1
[M+H-H2O]+ 208.04322 141.5
[M+HCOO]- 270.04416 165.0
[M+CH3COO]- 284.05981 187.0
[M+Na-2H]- 246.02063 149.2
[M]+ 225.04541 149.3
[M]- 225.04651 149.3
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.