CID 75525745

[4-(prop-2-yn-1-ylsulfanyl)phenyl]methanol

Structural Information

Molecular Formula
C10H10OS
SMILES
C#CCSC1=CC=C(C=C1)CO
InChI
InChI=1S/C10H10OS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,3-6,11H,7-8H2
InChIKey
NAEFTHQAIIQQKO-UHFFFAOYSA-N
Compound name
(4-prop-2-ynylsulfanylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05252 132.3
[M+Na]+ 201.03446 144.7
[M+NH4]+ 196.07906 138.1
[M+K]+ 217.00840 133.4
[M-H]- 177.03796 126.8
[M+Na-2H]- 199.01991 136.1
[M]+ 178.04469 132.2
[M]- 178.04579 132.2
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.