CID 81664610

2060037-87-6

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1CS(=O)(=O)C2=CC=CC=C2C1CN
InChI
InChI=1S/C10H13NO2S/c11-7-8-5-6-14(12,13)10-4-2-1-3-9(8)10/h1-4,8H,5-7,11H2
InChIKey
DUQDSRHOOGNMPM-UHFFFAOYSA-N
Compound name
(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 140.6
[M+Na]+ 234.055918 149.3
[M-H]- 210.059424 144.7
[M+NH4]+ 229.100523 162.5
[M+K]+ 250.029858 145.6
[M+H-H2O]+ 194.063960 135.4
[M+HCOO]- 256.064901 157.7
[M+CH3COO]- 270.080551 184.8
[M+Na-2H]- 232.041366 146.2
[M]+ 211.06615142 140.1
[M]- 211.06724858 140.1
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.