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

299
Patents

211.0667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 144.0
[M+Na]+ 234.055918 152.2
[M-H]- 210.059424 147.9
[M+NH4]+ 229.100523 163.1
[M+K]+ 250.029858 148.3
[M+H-H2O]+ 194.063960 138.1
[M+HCOO]- 256.064901 163.3
[M+CH3COO]- 270.080551 185.9
[M+Na-2H]- 232.041366 148.7
[M]+ 211.06615142 146.2
[M]- 211.06724858 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