CID 135742153

3-hydroxythiophene-2-carbaldehyde

Structural Information

Molecular Formula
C5H4O2S
SMILES
C1=CSC(=C1O)C=O
InChI
InChI=1S/C5H4O2S/c6-3-5-4(7)1-2-8-5/h1-3,7H
InChIKey
GQBCZPRINVZQJQ-UHFFFAOYSA-N
Compound name
3-hydroxythiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

127.9932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.00048 123.1
[M+Na]+ 150.98242 134.1
[M+NH4]+ 146.02702 132.2
[M+K]+ 166.95636 128.5
[M-H]- 126.98592 124.2
[M+Na-2H]- 148.96787 127.9
[M]+ 127.99265 125.3
[M]- 127.99375 125.3
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