CID 3056088

2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine

Structural Information

Molecular Formula
C12H14N2S
SMILES
C1CSC2=C(C1CN)C3=CC=CC=C3N2
InChI
InChI=1S/C12H14N2S/c13-7-8-5-6-15-12-11(8)9-3-1-2-4-10(9)14-12/h1-4,8,14H,5-7,13H2
InChIKey
MPNKHPNCBKDIDY-UHFFFAOYSA-N
Compound name
2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.08777 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 143.1
[M+Na]+ 241.07699 152.4
[M-H]- 217.08049 145.7
[M+NH4]+ 236.12159 164.1
[M+K]+ 257.05093 146.6
[M+H-H2O]+ 201.08503 137.6
[M+HCOO]- 263.08597 158.6
[M+CH3COO]- 277.10162 155.5
[M+Na-2H]- 239.06244 147.6
[M]+ 218.08722 141.7
[M]- 218.08832 141.7
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

patents stripe