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

117
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 121.2
[M+Na]+ 150.98242 131.4
[M-H]- 126.98592 124.6
[M+NH4]+ 146.02702 145.3
[M+K]+ 166.95636 129.3
[M+H-H2O]+ 110.99046 117.0
[M+HCOO]- 172.99140 141.7
[M+CH3COO]- 187.00705 164.8
[M+Na-2H]- 148.96787 124.6
[M]+ 127.99265 123.4
[M]- 127.99375 123.4
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