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

2
Patents

166.04524 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.052516 127.8
[M+Na]+ 189.034458 138.0
[M-H]- 165.037964 135.9
[M+NH4]+ 184.079063 144.4
[M+K]+ 205.008398 135.3
[M+H-H2O]+ 149.042500 121.4
[M+HCOO]- 211.043441 148.1
[M+CH3COO]- 225.059091 180.4
[M+Na-2H]- 187.019906 132.8
[M]+ 166.04469142 132.6
[M]- 166.04578858 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

patents stripe