CID 13527706

5-(1,3-dioxolan-2-yl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C8H8O3S
SMILES
C1COC(O1)C2=CC=C(S2)C=O
InChI
InChI=1S/C8H8O3S/c9-5-6-1-2-7(12-6)8-10-3-4-11-8/h1-2,5,8H,3-4H2
InChIKey
OXGRKJQYAPAJKZ-UHFFFAOYSA-N
Compound name
5-(1,3-dioxolan-2-yl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

184.01941 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02669 136.3
[M+Na]+ 207.00863 145.4
[M-H]- 183.01213 145.1
[M+NH4]+ 202.05323 157.8
[M+K]+ 222.98257 146.2
[M+H-H2O]+ 167.01667 132.5
[M+HCOO]- 229.01761 155.7
[M+CH3COO]- 243.03326 175.4
[M+Na-2H]- 204.99408 138.6
[M]+ 184.01886 139.7
[M]- 184.01996 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe