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]+ 233.11070 148.3
[M+Na]+ 255.09264 158.0
[M-H]- 231.09614 151.0
[M+NH4]+ 250.13724 169.0
[M+K]+ 271.06658 151.9
[M+H-H2O]+ 215.10068 142.8
[M+HCOO]- 277.10162 163.3
[M+CH3COO]- 291.11727 160.5
[M+Na-2H]- 253.07809 151.5
[M]+ 232.10287 147.6
[M]- 232.10397 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.