CID 50998143

4-cyclopropoxybenzene-1-thiol

Structural Information

Molecular Formula
C9H10OS
SMILES
C1CC1OC2=CC=C(C=C2)S
InChI
InChI=1S/C9H10OS/c11-9-5-3-8(4-6-9)10-7-1-2-7/h3-7,11H,1-2H2
InChIKey
WYSZFIVENXNTCK-UHFFFAOYSA-N
Compound name
4-cyclopropyloxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04524 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05252 127.8
[M+Na]+ 189.03446 138.0
[M-H]- 165.03796 135.9
[M+NH4]+ 184.07906 144.4
[M+K]+ 205.00840 135.3
[M+H-H2O]+ 149.04250 121.4
[M+HCOO]- 211.04344 148.1
[M+CH3COO]- 225.05909 180.4
[M+Na-2H]- 187.01991 132.8
[M]+ 166.04469 132.6
[M]- 166.04579 132.6
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.