CID 57486910

956010-59-6

Structural Information

Molecular Formula
C8H8OS
SMILES
C1CC2=C(C1)SC(=C2)C=O
InChI
InChI=1S/C8H8OS/c9-5-7-4-6-2-1-3-8(6)10-7/h4-5H,1-3H2
InChIKey
SQKWAPNHPFBDLA-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

152.02959 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03687 131.2
[M+Na]+ 175.01881 141.4
[M-H]- 151.02231 136.7
[M+NH4]+ 170.06341 158.0
[M+K]+ 190.99275 139.2
[M+H-H2O]+ 135.02685 127.5
[M+HCOO]- 197.02779 151.5
[M+CH3COO]- 211.04344 146.4
[M+Na-2H]- 173.00426 133.2
[M]+ 152.02904 133.6
[M]- 152.03014 133.6
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