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]+ 197.06308 140.8
[M+Na]+ 219.04502 147.9
[M-H]- 195.04852 148.2
[M+NH4]+ 214.08962 161.2
[M+K]+ 235.01896 146.6
[M+H-H2O]+ 179.05306 135.5
[M+HCOO]- 241.05400 158.0
[M+CH3COO]- 255.06965 179.1
[M+Na-2H]- 217.03047 142.7
[M]+ 196.05525 140.6
[M]- 196.05635 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