CID 297877

4-methyl-n-(prop-2-en-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC=C
InChI
InChI=1S/C10H13NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h3-7,11H,1,8H2,2H3
InChIKey
SQMCYQSCMCMEIL-UHFFFAOYSA-N
Compound name
4-methyl-N-prop-2-enylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

294
Patents

211.0667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 144.0
[M+Na]+ 234.05592 152.2
[M-H]- 210.05942 147.9
[M+NH4]+ 229.10052 163.1
[M+K]+ 250.02986 148.3
[M+H-H2O]+ 194.06396 138.1
[M+HCOO]- 256.06490 163.3
[M+CH3COO]- 270.08055 185.9
[M+Na-2H]- 232.04137 148.7
[M]+ 211.06615 146.2
[M]- 211.06725 146.2
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