CID 3712746

4-methyl-n-(prop-2-yn-1-yl)benzenesulfonamide

Structural Information

Molecular Formula
C10H11NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC#C
InChI
InChI=1S/C10H11NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h1,4-7,11H,8H2,2H3
InChIKey
KZFGYFVUSPCRSG-UHFFFAOYSA-N
Compound name
4-methyl-N-prop-2-ynylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

209.05106 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.058336 152.7
[M+Na]+ 232.040278 163.2
[M-H]- 208.043784 155.7
[M+NH4]+ 227.084883 169.8
[M+K]+ 248.014218 159.1
[M+H-H2O]+ 192.048320 141.0
[M+HCOO]- 254.049261 166.2
[M+CH3COO]- 268.064911 192.9
[M+Na-2H]- 230.025726 155.7
[M]+ 209.05051142 149.3
[M]- 209.05160858 149.3
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