CID 3056091

Brn 5945627

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC1=CC2=C(C=C1)NC3=C2C(CCS3)CN
InChI
InChI=1S/C13H16N2S/c1-8-2-3-11-10(6-8)12-9(7-14)4-5-16-13(12)15-11/h2-3,6,9,15H,4-5,7,14H2,1H3
InChIKey
CCNHJBDXFBSFAA-UHFFFAOYSA-N
Compound name
(6-methyl-2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10342 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.110696 148.3
[M+Na]+ 255.092638 158.0
[M-H]- 231.096144 151.0
[M+NH4]+ 250.137243 169.0
[M+K]+ 271.066578 151.9
[M+H-H2O]+ 215.100680 142.8
[M+HCOO]- 277.101621 163.3
[M+CH3COO]- 291.117271 160.5
[M+Na-2H]- 253.078086 151.5
[M]+ 232.10287142 147.6
[M]- 232.10396858 147.6
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.