CID 81802590

240132-49-4

Structural Information

Molecular Formula
C11H13NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)CC#C
InChI
InChI=1S/C11H13NO2S/c1-4-9-12(3)15(13,14)11-7-5-10(2)6-8-11/h1,5-8H,9H2,2-3H3
InChIKey
DQMSNFFZKULPDM-UHFFFAOYSA-N
Compound name
N,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07398 155.9
[M+Na]+ 246.05592 166.1
[M-H]- 222.05942 160.1
[M+NH4]+ 241.10052 173.1
[M+K]+ 262.02986 163.1
[M+H-H2O]+ 206.06396 143.9
[M+HCOO]- 268.06490 169.6
[M+CH3COO]- 282.08055 198.7
[M+Na-2H]- 244.04137 158.0
[M]+ 223.06615 154.0
[M]- 223.06725 154.0
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.