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

46
Patents

174.0537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06098 113.5
[M+Na]+ 197.04292 114.7
[M-H]- 173.04642 118.0
[M+NH4]+ 192.08752 120.3
[M+K]+ 213.01686 118.1
[M+H-H2O]+ 157.05096 97.1
[M+HCOO]- 219.05190 121.9
[M+CH3COO]- 233.06755 191.1
[M+Na-2H]- 195.02837 114.2
[M]+ 174.05315 128.3
[M]- 174.05425 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