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

53
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

literature stripe

Patent stripe

patents stripe