CID 64390412

1-methanesulfonyl-2,3-dihydro-1h-indol-4-amine

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
CS(=O)(=O)N1CCC2=C(C=CC=C21)N
InChI
InChI=1S/C9H12N2O2S/c1-14(12,13)11-6-5-7-8(10)3-2-4-9(7)11/h2-4H,5-6,10H2,1H3
InChIKey
FEJPZDQGLGZHGL-UHFFFAOYSA-N
Compound name
1-methylsulfonyl-2,3-dihydroindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06195 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 144.0
[M+Na]+ 235.051168 153.9
[M-H]- 211.054674 147.4
[M+NH4]+ 230.095773 164.8
[M+K]+ 251.025108 150.5
[M+H-H2O]+ 195.059210 138.8
[M+HCOO]- 257.060151 161.0
[M+CH3COO]- 271.075801 184.8
[M+Na-2H]- 233.036616 147.9
[M]+ 212.06140142 145.1
[M]- 212.06249858 145.1
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.