CID 413324

Acetamidomethanesulfonic acid

Structural Information

Molecular Formula
C3H7NO4S
SMILES
CC(=O)NCS(=O)(=O)O
InChI
InChI=1S/C3H7NO4S/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H,6,7,8)
InChIKey
VCYZNRPTQABOAD-UHFFFAOYSA-N
Compound name
acetamidomethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

153.00958 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01686 126.8
[M+Na]+ 175.99880 134.5
[M-H]- 152.00230 126.3
[M+NH4]+ 171.04340 147.1
[M+K]+ 191.97274 133.5
[M+H-H2O]+ 136.00684 122.3
[M+HCOO]- 198.00778 144.4
[M+CH3COO]- 212.02343 170.0
[M+Na-2H]- 173.98425 131.4
[M]+ 153.00903 128.6
[M]- 153.01013 128.6
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