CID 62841253

1310422-55-9

Structural Information

Molecular Formula
C9H13NS
SMILES
C1CC(C2=C(C1)SC=C2)CN
InChI
InChI=1S/C9H13NS/c10-6-7-2-1-3-9-8(7)4-5-11-9/h4-5,7H,1-3,6,10H2
InChIKey
DEWAOGITEZGETP-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1-benzothiophen-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

167.07687 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.084146 133.4
[M+Na]+ 190.066088 140.9
[M-H]- 166.069594 137.3
[M+NH4]+ 185.110693 157.1
[M+K]+ 206.040028 137.6
[M+H-H2O]+ 150.074130 128.5
[M+HCOO]- 212.075071 151.0
[M+CH3COO]- 226.090721 146.7
[M+Na-2H]- 188.051536 136.1
[M]+ 167.07632142 131.3
[M]- 167.07741858 131.3
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