CID 58437110

(cyclobutyldisulfanyl)cyclobutane

Structural Information

Molecular Formula
C8H14S2
SMILES
C1CC(C1)SSC2CCC2
InChI
InChI=1S/C8H14S2/c1-3-7(4-1)9-10-8-5-2-6-8/h7-8H,1-6H2
InChIKey
ZGYPZUPINIWMQY-UHFFFAOYSA-N
Compound name
(cyclobutyldisulfanyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

174.0537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.060976 113.5
[M+Na]+ 197.042918 114.7
[M-H]- 173.046424 118.0
[M+NH4]+ 192.087523 120.3
[M+K]+ 213.016858 118.1
[M+H-H2O]+ 157.050960 97.1
[M+HCOO]- 219.051901 121.9
[M+CH3COO]- 233.067551 191.1
[M+Na-2H]- 195.028366 114.2
[M]+ 174.05315142 128.3
[M]- 174.05424858 128.3
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