CID 6502033

2-(n-methylmethanesulfonamido)acetic acid

Structural Information

Molecular Formula
C4H9NO4S
SMILES
CN(CC(=O)O)S(=O)(=O)C
InChI
InChI=1S/C4H9NO4S/c1-5(3-4(6)7)10(2,8)9/h3H2,1-2H3,(H,6,7)
InChIKey
BJJBJDSBYILUDE-UHFFFAOYSA-N
Compound name
2-[methyl(methylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

167.02522 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032496 130.3
[M+Na]+ 190.014438 137.6
[M-H]- 166.017944 131.1
[M+NH4]+ 185.059043 150.7
[M+K]+ 205.988378 137.9
[M+H-H2O]+ 150.022480 125.5
[M+HCOO]- 212.023421 148.0
[M+CH3COO]- 226.039071 177.2
[M+Na-2H]- 187.999886 133.8
[M]+ 167.02467142 133.9
[M]- 167.02576858 133.9
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