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]+ 213.06923 144.0
[M+Na]+ 235.05117 153.9
[M-H]- 211.05467 147.4
[M+NH4]+ 230.09577 164.8
[M+K]+ 251.02511 150.5
[M+H-H2O]+ 195.05921 138.8
[M+HCOO]- 257.06015 161.0
[M+CH3COO]- 271.07580 184.8
[M+Na-2H]- 233.03662 147.9
[M]+ 212.06140 145.1
[M]- 212.06250 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.