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 148.5
[M+Na]+ 248.03518 158.0
[M+NH4]+ 243.07978 155.4
[M+K]+ 264.00912 151.6
[M-H]- 224.03868 149.2
[M+Na-2H]- 246.02063 152.7
[M]+ 225.04541 150.2
[M]- 225.04651 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.