CID 71326365

89819-31-8

Structural Information

Molecular Formula

C₁₁H₁₅NO₃S

SMILES

CC1(CCC2=C(O1)C(=CC=C2)S(=O)(=O)N)C

InChI

InChI=1S/C11H15NO3S/c1-11(2)7-6-8-4-3-5-9(10(8)15-11)16(12,13)14/h3-5H,6-7H2,1-2H3,(H2,12,13,14)

InChIKey

ISCVFOHJQQIIRE-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.07727 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.084546	148.9
[M+Na]+	264.066488	157.5
[M-H]-	240.069994	153.7
[M+NH4]+	259.111093	168.4
[M+K]+	280.040428	155.7
[M+H-H2O]+	224.074530	144.0
[M+HCOO]-	286.075471	163.6
[M+CH3COO]-	300.091121	190.4
[M+Na-2H]-	262.051936	156.0
[M]+	241.07672142	150.3
[M]-	241.07781858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe