CID 2416539

732291-85-9

Structural Information

Molecular Formula
C8H8N4O5S
SMILES
C1=CC2=C(C=C1S(=O)(=O)NCC(=O)O)N=NN2O
InChI
InChI=1S/C8H8N4O5S/c13-8(14)4-9-18(16,17)5-1-2-7-6(3-5)10-11-12(7)15/h1-3,9,15H,4H2,(H,13,14)
InChIKey
QUSLAPOTGGILME-UHFFFAOYSA-N
Compound name
2-[(1-hydroxybenzotriazol-5-yl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.02155 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02883 154.4
[M+Na]+ 295.01077 164.8
[M-H]- 271.01427 153.9
[M+NH4]+ 290.05537 168.4
[M+K]+ 310.98471 161.3
[M+H-H2O]+ 255.01881 148.2
[M+HCOO]- 317.01975 169.3
[M+CH3COO]- 331.03540 189.6
[M+Na-2H]- 292.99622 160.4
[M]+ 272.02100 158.9
[M]- 272.02210 158.9
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.