CID 3692570

304460-78-4

Structural Information

Molecular Formula
C11H17NO3S
SMILES
CCC(CO)NS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C11H17NO3S/c1-3-10(8-13)12-16(14,15)11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3
InChIKey
LJSHGNALHZTWHB-UHFFFAOYSA-N
Compound name
N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

243.09291 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.100186 153.0
[M+Na]+ 266.082128 159.5
[M-H]- 242.085634 155.2
[M+NH4]+ 261.126733 169.9
[M+K]+ 282.056068 156.2
[M+H-H2O]+ 226.090170 147.0
[M+HCOO]- 288.091111 169.4
[M+CH3COO]- 302.106761 190.3
[M+Na-2H]- 264.067576 155.9
[M]+ 243.09236142 155.2
[M]- 243.09345858 155.2
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