CID 125932

134152-15-1

Structural Information

Molecular Formula
C7H13NO7S
SMILES
C(CN(CC(=O)O)CC(=O)O)CS(=O)(=O)O
InChI
InChI=1S/C7H13NO7S/c9-6(10)4-8(5-7(11)12)2-1-3-16(13,14)15/h1-5H2,(H,9,10)(H,11,12)(H,13,14,15)
InChIKey
CYENWLQMKHLYKF-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(3-sulfopropyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

67
Patents

255.04128 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04856 150.7
[M+Na]+ 278.03050 155.1
[M-H]- 254.03400 147.7
[M+NH4]+ 273.07510 165.4
[M+K]+ 294.00444 154.4
[M+H-H2O]+ 238.03854 145.1
[M+HCOO]- 300.03948 164.3
[M+CH3COO]- 314.05513 188.0
[M+Na-2H]- 276.01595 151.6
[M]+ 255.04073 154.4
[M]- 255.04183 154.4
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

No patent data available for this compound.