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]+ 159.04743 131.1
[M+Na]+ 181.02937 140.1
[M-H]- 157.03287 134.1
[M+NH4]+ 176.07397 154.1
[M+K]+ 197.00331 138.1
[M+H-H2O]+ 141.03741 126.4
[M+HCOO]- 203.03835 150.7
[M+CH3COO]- 217.05400 171.8
[M+Na-2H]- 179.01482 133.5
[M]+ 158.03960 134.7
[M]- 158.04070 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.