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

literature stripe

Patent stripe

patents stripe