CID 21834230

(2,3-dihydro-1-benzothiophen-3-yl)methanamine

Structural Information

Molecular Formula
C9H11NS
SMILES
C1C(C2=CC=CC=C2S1)CN
InChI
InChI=1S/C9H11NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7H,5-6,10H2
InChIKey
HGVCZXNKQGIFPG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzothiophen-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

165.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06850 132.0
[M+Na]+ 188.05044 143.3
[M+NH4]+ 183.09504 142.9
[M+K]+ 204.02438 135.9
[M-H]- 164.05394 135.8
[M+Na-2H]- 186.03589 137.8
[M]+ 165.06067 135.1
[M]- 165.06177 135.1
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