CID 24688589

2305252-25-7

Structural Information

Molecular Formula
C8H11NS
SMILES
C1CC2=C(C1)SC(=C2)CN
InChI
InChI=1S/C8H11NS/c9-5-7-4-6-2-1-3-8(6)10-7/h4H,1-3,5,9H2
InChIKey
JFWMSCGNMHKOHT-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.06122 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 131.3
[M+Na]+ 176.05044 140.4
[M-H]- 152.05394 136.1
[M+NH4]+ 171.09504 157.5
[M+K]+ 192.02438 137.8
[M+H-H2O]+ 136.05848 127.1
[M+HCOO]- 198.05942 151.5
[M+CH3COO]- 212.07507 145.8
[M+Na-2H]- 174.03589 133.0
[M]+ 153.06067 131.3
[M]- 153.06177 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