CID 43539109

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

Structural Information

Molecular Formula
C8H9NS
SMILES
C1C(C2=CC=CC=C2S1)N
InChI
InChI=1S/C8H9NS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2
InChIKey
DNIHSQRMUDUEQZ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

151.04558 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe