CID 79977406

(3-cyclopropylphenyl)methanethiol

Structural Information

Molecular Formula
C10H12S
SMILES
C1CC1C2=CC=CC(=C2)CS
InChI
InChI=1S/C10H12S/c11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9,11H,4-5,7H2
InChIKey
BYJZLNWOTVKQRF-UHFFFAOYSA-N
Compound name
(3-cyclopropylphenyl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06598 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07326 127.4
[M+Na]+ 187.05520 137.2
[M-H]- 163.05870 135.4
[M+NH4]+ 182.09980 144.1
[M+K]+ 203.02914 134.1
[M+H-H2O]+ 147.06324 121.0
[M+HCOO]- 209.06418 147.2
[M+CH3COO]- 223.07983 181.4
[M+Na-2H]- 185.04065 132.0
[M]+ 164.06543 131.2
[M]- 164.06653 131.2
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.