CID 12536636

2,3-dihydro-1-benzothiophen-6-amine

Structural Information

Molecular Formula
C8H9NS
SMILES
C1CSC2=C1C=CC(=C2)N
InChI
InChI=1S/C8H9NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4,9H2
InChIKey
WUSZHDLGNMPIKS-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzothiophen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

151.04558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05286 127.3
[M+Na]+ 174.03480 136.3
[M-H]- 150.03830 131.9
[M+NH4]+ 169.07940 151.8
[M+K]+ 190.00874 133.1
[M+H-H2O]+ 134.04284 122.6
[M+HCOO]- 196.04378 146.8
[M+CH3COO]- 210.05943 141.7
[M+Na-2H]- 172.02025 131.5
[M]+ 151.04503 126.3
[M]- 151.04613 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe