CID 85610

2-methoxythiophene

Structural Information

Molecular Formula
C5H6OS
SMILES
COC1=CC=CS1
InChI
InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3
InChIKey
OKEHURCMYKPVFW-UHFFFAOYSA-N
Compound name
2-methoxythiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1505
Patents

114.01394 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.021216 118.8
[M+Na]+ 137.003158 128.4
[M-H]- 113.006664 123.3
[M+NH4]+ 132.047763 144.0
[M+K]+ 152.977098 127.5
[M+H-H2O]+ 97.011200 114.2
[M+HCOO]- 159.012141 140.4
[M+CH3COO]- 173.027791 165.5
[M+Na-2H]- 134.988606 123.1
[M]+ 114.01339142 121.8
[M]- 114.01448858 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