CID 735917

1-(methylsulfonyl)indolin-5-amine

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
CS(=O)(=O)N1CCC2=C1C=CC(=C2)N
InChI
InChI=1S/C9H12N2O2S/c1-14(12,13)11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5,10H2,1H3
InChIKey
JLXKFJCABSSCPF-UHFFFAOYSA-N
Compound name
1-methylsulfonyl-2,3-dihydroindol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

70
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

literature stripe

Patent stripe

patents stripe