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]+ 198.058336 137.5
[M+Na]+ 220.040278 148.0
[M-H]- 196.043784 142.4
[M+NH4]+ 215.084883 162.2
[M+K]+ 236.014218 144.3
[M+H-H2O]+ 180.048320 133.3
[M+HCOO]- 242.049261 157.3
[M+CH3COO]- 256.064911 181.3
[M+Na-2H]- 218.025726 142.1
[M]+ 197.05051142 139.0
[M]- 197.05160858 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.