CID 140249

3-methoxythiophene

Structural Information

Molecular Formula
C5H6OS
SMILES
COC1=CSC=C1
InChI
InChI=1S/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H3
InChIKey
RFSKGCVUDQRZSD-UHFFFAOYSA-N
Compound name
3-methoxythiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5799
Patents

114.01394 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.02122 118.8
[M+Na]+ 137.00316 128.4
[M-H]- 113.00666 123.3
[M+NH4]+ 132.04776 144.0
[M+K]+ 152.97710 127.5
[M+H-H2O]+ 97.011200 114.2
[M+HCOO]- 159.01214 140.4
[M+CH3COO]- 173.02779 165.5
[M+Na-2H]- 134.98861 123.1
[M]+ 114.01339 121.7
[M]- 114.01449 121.8
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