CID 3151236

2-methanesulfonamidoacetic acid

Structural Information

Molecular Formula
C3H7NO4S
SMILES
CS(=O)(=O)NCC(=O)O
InChI
InChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKey
LTZMAQOKPJMBRZ-UHFFFAOYSA-N
Compound name
2-(methanesulfonamido)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

153.00958 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01686 126.6
[M+Na]+ 175.99880 134.2
[M-H]- 152.00230 126.0
[M+NH4]+ 171.04340 146.8
[M+K]+ 191.97274 133.2
[M+H-H2O]+ 136.00684 122.0
[M+HCOO]- 198.00778 144.1
[M+CH3COO]- 212.02343 170.7
[M+Na-2H]- 173.98425 131.1
[M]+ 153.00903 128.4
[M]- 153.01013 128.4
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

patents stripe