CID 130056668

191608-15-8

Structural Information

Molecular Formula
C10H13NOS
SMILES
CSC1=CC2=C(C=C1)OCCC2N
InChI
InChI=1S/C10H13NOS/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9H,4-5,11H2,1H3
InChIKey
OXMCIJLVHODKSN-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0718 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 138.3
[M+Na]+ 218.06102 146.1
[M-H]- 194.06452 143.1
[M+NH4]+ 213.10562 158.0
[M+K]+ 234.03496 143.8
[M+H-H2O]+ 178.06906 132.7
[M+HCOO]- 240.07000 154.3
[M+CH3COO]- 254.08565 151.3
[M+Na-2H]- 216.04647 143.4
[M]+ 195.07125 138.0
[M]- 195.07235 138.0
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.