CID 203603

52238-41-2

Structural Information

Molecular Formula
C7H17S
SMILES
CCCCC[S+](C)C
InChI
InChI=1S/C7H17S/c1-4-5-6-7-8(2)3/h4-7H2,1-3H3/q+1
InChIKey
OTCHREMCPUCICH-UHFFFAOYSA-N
Compound name
dimethyl(pentyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

133.1051 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.11238 127.3
[M+Na]+ 156.09432 134.0
[M-H]- 132.09782 128.2
[M+NH4]+ 151.13892 149.9
[M+K]+ 172.06826 127.9
[M+H-H2O]+ 116.10236 125.6
[M+HCOO]- 178.10330 144.1
[M+CH3COO]- 192.11895 168.8
[M+Na-2H]- 154.07977 131.4
[M]+ 133.10455 129.0
[M]- 133.10565 129.0
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