CID 597180

Propyl p-tolyl sulfide

Structural Information

Molecular Formula
C10H14S
SMILES
CCCSC1=CC=C(C=C1)C
InChI
InChI=1S/C10H14S/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey
IXOMJZNGYMCDGN-UHFFFAOYSA-N
Compound name
1-methyl-4-propylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

166.08162 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08890 133.3
[M+Na]+ 189.07084 141.6
[M-H]- 165.07434 137.4
[M+NH4]+ 184.11544 155.0
[M+K]+ 205.04478 138.6
[M+H-H2O]+ 149.07888 127.9
[M+HCOO]- 211.07982 152.3
[M+CH3COO]- 225.09547 179.5
[M+Na-2H]- 187.05629 137.0
[M]+ 166.08107 136.2
[M]- 166.08217 136.2
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

patents stripe