CID 66545642

[4-(methoxymethyl)thiophen-2-yl]methanol

Structural Information

Molecular Formula
C7H10O2S
SMILES
COCC1=CSC(=C1)CO
InChI
InChI=1S/C7H10O2S/c1-9-4-6-2-7(3-8)10-5-6/h2,5,8H,3-4H2,1H3
InChIKey
BWVLJXXZIINPCY-UHFFFAOYSA-N
Compound name
[4-(methoxymethyl)thiophen-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.04015 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.047426 131.1
[M+Na]+ 181.029368 140.1
[M-H]- 157.032874 134.1
[M+NH4]+ 176.073973 154.1
[M+K]+ 197.003308 138.1
[M+H-H2O]+ 141.037410 126.4
[M+HCOO]- 203.038351 150.7
[M+CH3COO]- 217.054001 171.8
[M+Na-2H]- 179.014816 133.5
[M]+ 158.03960142 134.7
[M]- 158.04069858 134.7
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

No patent data available for this compound.