CID 84678635

2825007-88-1

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1CC2=C(C(=CC=C2)CN)S(=O)(=O)C1
InChI
InChI=1S/C10H13NO2S/c11-7-9-4-1-3-8-5-2-6-14(12,13)10(8)9/h1,3-4H,2,5-7,11H2
InChIKey
KKKZPGBXJUBGAK-UHFFFAOYSA-N
Compound name
(1,1-dioxo-3,4-dihydro-2H-thiochromen-8-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]+ 212.07398 140.6
[M+Na]+ 234.05592 149.3
[M-H]- 210.05942 144.7
[M+NH4]+ 229.10052 162.5
[M+K]+ 250.02986 145.6
[M+H-H2O]+ 194.06396 135.4
[M+HCOO]- 256.06490 157.7
[M+CH3COO]- 270.08055 184.8
[M+Na-2H]- 232.04137 146.2
[M]+ 211.06615 140.1
[M]- 211.06725 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.