CID 637538

Cyclododecene

Structural Information

Molecular Formula
C12H22
SMILES
C1CCCCC/C=C\CCCC1
InChI
InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-
InChIKey
HYPABJGVBDSCIT-UPHRSURJSA-N
Compound name
cyclododecene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7282
Patents

166.17215 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.17943 138.4
[M+Na]+ 189.16137 140.2
[M-H]- 165.16487 138.2
[M+NH4]+ 184.20597 155.5
[M+K]+ 205.13531 139.7
[M+H-H2O]+ 149.16941 135.4
[M+HCOO]- 211.17035 156.4
[M+CH3COO]- 225.18600 172.6
[M+Na-2H]- 187.14682 142.2
[M]+ 166.17160 127.8
[M]- 166.17270 127.8
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

No patent data available for this compound.