CID 134812255

(5-(but-3-en-1-yn-1-yl)thiophen-2-yl)methanol

Structural Information

Molecular Formula
C9H8OS
SMILES
C=CC#CC1=CC=C(S1)CO
InChI
InChI=1S/C9H8OS/c1-2-3-4-8-5-6-9(7-10)11-8/h2,5-6,10H,1,7H2
InChIKey
FYRZGWSQPVKQIN-UHFFFAOYSA-N
Compound name
(5-but-3-en-1-ynylthiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.02959 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03687 140.6
[M+Na]+ 187.01881 152.4
[M-H]- 163.02231 142.9
[M+NH4]+ 182.06341 161.2
[M+K]+ 202.99275 147.4
[M+H-H2O]+ 147.02685 130.0
[M+HCOO]- 209.02779 154.3
[M+CH3COO]- 223.04344 181.1
[M+Na-2H]- 185.00426 141.2
[M]+ 164.02904 136.8
[M]- 164.03014 136.8
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.