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]+ 165.036866 140.6
[M+Na]+ 187.018808 152.4
[M-H]- 163.022314 142.9
[M+NH4]+ 182.063413 161.2
[M+K]+ 202.992748 147.4
[M+H-H2O]+ 147.026850 130.0
[M+HCOO]- 209.027791 154.3
[M+CH3COO]- 223.043441 181.1
[M+Na-2H]- 185.004256 141.2
[M]+ 164.02904142 136.8
[M]- 164.03013858 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.