CID 54013277

58370-36-8

Structural Information

Molecular Formula
C10H16N2O5S2
SMILES
CC(C)(CS(=O)(=O)C1=CC=C(C=C1)NN)S(=O)(=O)O
InChI
InChI=1S/C10H16N2O5S2/c1-10(2,19(15,16)17)7-18(13,14)9-5-3-8(12-11)4-6-9/h3-6,12H,7,11H2,1-2H3,(H,15,16,17)
InChIKey
KTWDNUUYKYBBHI-UHFFFAOYSA-N
Compound name
1-(4-hydrazinylphenyl)sulfonyl-2-methylpropane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.05005 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05733 166.5
[M+Na]+ 331.03927 172.3
[M-H]- 307.04277 167.2
[M+NH4]+ 326.08387 179.4
[M+K]+ 347.01321 167.3
[M+H-H2O]+ 291.04731 160.0
[M+HCOO]- 353.04825 176.2
[M+CH3COO]- 367.06390 199.4
[M+Na-2H]- 329.02472 171.7
[M]+ 308.04950 167.6
[M]- 308.05060 167.6
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