CID 136844

Tetracyclododecene

Structural Information

Molecular Formula
C12H16
SMILES
C1CC2CC1C3C2C4CC3C=C4
InChI
InChI=1S/C12H16/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h1-2,7-12H,3-6H2
InChIKey
XBFJAVXCNXDMBH-UHFFFAOYSA-N
Compound name
tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19049
Patents

160.1252 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 141.8
[M+Na]+ 183.11442 149.9
[M-H]- 159.11792 145.8
[M+NH4]+ 178.15902 173.4
[M+K]+ 199.08836 146.6
[M+H-H2O]+ 143.12246 139.4
[M+HCOO]- 205.12340 161.5
[M+CH3COO]- 219.13905 155.5
[M+Na-2H]- 181.09987 142.4
[M]+ 160.12465 141.2
[M]- 160.12575 141.2
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