CID 100712

39133-34-1

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CCC#N)N
InChI
InChI=1S/C10H13N3O2S/c1-9-3-5-10(6-4-9)16(14,15)13(12)8-2-7-11/h3-6H,2,8,12H2,1H3
InChIKey
AJZJKEBCISMLIG-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-4-methylbenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07285 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08013 160.8
[M+Na]+ 262.06207 169.6
[M-H]- 238.06557 165.2
[M+NH4]+ 257.10667 176.8
[M+K]+ 278.03601 167.5
[M+H-H2O]+ 222.07011 147.6
[M+HCOO]- 284.07105 176.9
[M+CH3COO]- 298.08670 206.6
[M+Na-2H]- 260.04752 163.3
[M]+ 239.07230 157.6
[M]- 239.07340 157.6
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

No patent data available for this compound.