CID 520385

Bicyclo[7.1.0]decane

Structural Information

Molecular Formula
C10H18
SMILES
C1CCCC2CC2CCC1
InChI
InChI=1S/C10H18/c1-2-4-6-9-8-10(9)7-5-3-1/h9-10H,1-8H2
InChIKey
SAXQCCHLVOICGG-UHFFFAOYSA-N
Compound name
bicyclo[7.1.0]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

138.14085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.148126 171.4
[M+Na]+ 161.130068 174.3
[M-H]- 137.133574 172.2
[M+NH4]+ 156.174673 172.5
[M+K]+ 177.104008 174.3
[M+H-H2O]+ 121.138110 165.1
[M+HCOO]- 183.139051 173.7
[M+CH3COO]- 197.154701 174.8
[M+Na-2H]- 159.115516 176.8
[M]+ 138.14030142 173.0
[M]- 138.14139858 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe