CID 83818746

5-(oxan-4-yl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C10H12O2S
SMILES
C1COCCC1C2=CC=C(S2)C=O
InChI
InChI=1S/C10H12O2S/c11-7-9-1-2-10(13-9)8-3-5-12-6-4-8/h1-2,7-8H,3-6H2
InChIKey
WTVOWYFAWLTVST-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.0558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.063076 140.8
[M+Na]+ 219.045018 147.9
[M-H]- 195.048524 148.2
[M+NH4]+ 214.089623 161.2
[M+K]+ 235.018958 146.6
[M+H-H2O]+ 179.053060 135.5
[M+HCOO]- 241.054001 158.0
[M+CH3COO]- 255.069651 179.1
[M+Na-2H]- 217.030466 142.7
[M]+ 196.05525142 140.7
[M]- 196.05634858 140.7
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