CID 597180

24599-52-8

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

90
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 134.9
[M+Na]+ 189.07084 148.6
[M+NH4]+ 184.11544 145.4
[M+K]+ 205.04478 138.4
[M-H]- 165.07434 138.7
[M+Na-2H]- 187.05629 142.4
[M]+ 166.08107 138.6
[M]- 166.08217 138.6
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