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

5
Patents

218.08777 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.095046 143.1
[M+Na]+ 241.076988 152.4
[M-H]- 217.080494 145.7
[M+NH4]+ 236.121593 164.1
[M+K]+ 257.050928 146.6
[M+H-H2O]+ 201.085030 137.6
[M+HCOO]- 263.085971 158.6
[M+CH3COO]- 277.101621 155.5
[M+Na-2H]- 239.062436 147.6
[M]+ 218.08722142 141.7
[M]- 218.08831858 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