CID 63289984

2-(3-methoxypropanesulfonamido)acetic acid

Structural Information

Molecular Formula
C6H13NO5S
SMILES
COCCCS(=O)(=O)NCC(=O)O
InChI
InChI=1S/C6H13NO5S/c1-12-3-2-4-13(10,11)7-5-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKey
ASMTYQHJPRDTBN-UHFFFAOYSA-N
Compound name
2-(3-methoxypropylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05144 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05872 142.5
[M+Na]+ 234.04066 148.6
[M-H]- 210.04416 141.2
[M+NH4]+ 229.08526 160.3
[M+K]+ 250.01460 147.4
[M+H-H2O]+ 194.04870 137.1
[M+HCOO]- 256.04964 159.3
[M+CH3COO]- 270.06529 182.0
[M+Na-2H]- 232.02611 145.9
[M]+ 211.05089 146.9
[M]- 211.05199 146.9
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

No patent data available for this compound.