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

10
Patents

151.03032 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03760 127.8
[M+Na]+ 174.01954 135.7
[M-H]- 150.02304 128.6
[M+NH4]+ 169.06414 149.1
[M+K]+ 189.99348 134.9
[M+H-H2O]+ 134.02758 123.1
[M+HCOO]- 196.02852 146.3
[M+CH3COO]- 210.04417 173.5
[M+Na-2H]- 172.00499 132.2
[M]+ 151.02977 130.4
[M]- 151.03087 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