CID 10176967

42381-27-1

Structural Information

Molecular Formula
C9H15N3O2S
SMILES
CNS(=O)(=O)CCC1=CC=C(C=C1)NN
InChI
InChI=1S/C9H15N3O2S/c1-11-15(13,14)7-6-8-2-4-9(12-10)5-3-8/h2-5,11-12H,6-7,10H2,1H3
InChIKey
CCZBHURGHJQGCB-UHFFFAOYSA-N
Compound name
2-(4-hydrazinylphenyl)-N-methylethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

229.0885 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.095776 147.4
[M+Na]+ 252.077718 153.8
[M-H]- 228.081224 150.4
[M+NH4]+ 247.122323 164.6
[M+K]+ 268.051658 150.1
[M+H-H2O]+ 212.085760 140.5
[M+HCOO]- 274.086701 167.9
[M+CH3COO]- 288.102351 193.5
[M+Na-2H]- 250.063166 152.6
[M]+ 229.08795142 147.2
[M]- 229.08904858 147.2
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