CID 43522999

1156307-17-3

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1C(C2=CC=CC=C2S1(=O)=O)CN
InChI
InChI=1S/C9H11NO2S/c10-5-7-6-13(11,12)9-4-2-1-3-8(7)9/h1-4,7H,5-6,10H2
InChIKey
MYQGSPPNUJYZPP-UHFFFAOYSA-N
Compound name
(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05106 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 137.5
[M+Na]+ 220.04028 148.0
[M-H]- 196.04378 142.4
[M+NH4]+ 215.08488 162.2
[M+K]+ 236.01422 144.3
[M+H-H2O]+ 180.04832 133.3
[M+HCOO]- 242.04926 157.3
[M+CH3COO]- 256.06491 181.3
[M+Na-2H]- 218.02573 142.1
[M]+ 197.05051 139.0
[M]- 197.05161 139.0
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.