CID 123154

Congressane

Structural Information

Molecular Formula
C14H20
SMILES
C1C2CC3C4C1C5CC(C4)CC3C5C2
InChI
InChI=1S/C14H20/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8/h7-14H,1-6H2
InChIKey
ZICQBHNGXDOVJF-UHFFFAOYSA-N
Compound name
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3635
References

7886
Patents

188.1565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.16378 136.0
[M+Na]+ 211.14572 133.8
[M-H]- 187.14922 130.6
[M+NH4]+ 206.19032 161.0
[M+K]+ 227.11966 129.6
[M+H-H2O]+ 171.15376 126.6
[M+HCOO]- 233.15470 135.2
[M+CH3COO]- 247.17035 142.6
[M+Na-2H]- 209.13117 145.5
[M]+ 188.15595 133.0
[M]- 188.15705 133.0
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