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]+ 153.036866 131.2
[M+Na]+ 175.018808 141.4
[M-H]- 151.022314 136.7
[M+NH4]+ 170.063413 158.0
[M+K]+ 190.992748 139.2
[M+H-H2O]+ 135.026850 127.5
[M+HCOO]- 197.027791 151.5
[M+CH3COO]- 211.043441 146.4
[M+Na-2H]- 173.004256 133.2
[M]+ 152.02904142 133.6
[M]- 152.03013858 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