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 140.5
[M+Na]+ 201.03446 151.2
[M-H]- 177.03796 142.5
[M+NH4]+ 196.07906 158.8
[M+K]+ 217.00840 146.5
[M+H-H2O]+ 161.04250 129.6
[M+HCOO]- 223.04344 153.1
[M+CH3COO]- 237.05909 185.6
[M+Na-2H]- 199.01991 143.0
[M]+ 178.04469 137.0
[M]- 178.04579 137.0
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.