CID 3056937

Hexahydro-1,2,2,6,6-pentamethylthiopyrylium

Structural Information

Molecular Formula
C10H21S
SMILES
CC1(CCCC([S+]1C)(C)C)C
InChI
InChI=1S/C10H21S/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3/q+1
InChIKey
SFTCLNVWJMQKJE-UHFFFAOYSA-N
Compound name
1,2,2,6,6-pentamethylthian-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1364 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14368 132.8
[M+Na]+ 196.12562 140.1
[M-H]- 172.12912 136.9
[M+NH4]+ 191.17022 157.8
[M+K]+ 212.09956 133.5
[M+H-H2O]+ 156.13366 132.3
[M+HCOO]- 218.13460 147.1
[M+CH3COO]- 232.15025 174.6
[M+Na-2H]- 194.11107 138.2
[M]+ 173.13585 131.1
[M]- 173.13695 131.1
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.