CID 101893049

1621962-49-9

Structural Information

Molecular Formula
C4H9NO3S
SMILES
CS(=NCC(=O)O)(=O)C
InChI
InChI=1S/C4H9NO3S/c1-9(2,8)5-3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKey
JWAUQEKIPIJNSR-UHFFFAOYSA-N
Compound name
2-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

151.03032 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.037596 127.8
[M+Na]+ 174.019538 135.7
[M-H]- 150.023044 128.6
[M+NH4]+ 169.064143 149.1
[M+K]+ 189.993478 134.9
[M+H-H2O]+ 134.027580 123.1
[M+HCOO]- 196.028521 146.3
[M+CH3COO]- 210.044171 173.5
[M+Na-2H]- 172.004986 132.2
[M]+ 151.02977142 130.4
[M]- 151.03086858 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe