CID 5384534

Nsc339628

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(=O)O/C/1=C\CCCCCCCCCC1
InChI
InChI=1S/C14H24O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h11H,2-10,12H2,1H3/b14-11-
InChIKey
MVDXLMZXIHINTD-KAMYIIQDSA-N
Compound name
[(1Z)-cyclododecen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.17763 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 152.8
[M+Na]+ 247.166848 155.0
[M-H]- 223.170354 152.8
[M+NH4]+ 242.211453 167.8
[M+K]+ 263.140788 154.6
[M+H-H2O]+ 207.174890 149.7
[M+HCOO]- 269.175831 169.8
[M+CH3COO]- 283.191481 182.7
[M+Na-2H]- 245.152296 153.7
[M]+ 224.17708142 144.8
[M]- 224.17817858 144.8
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

patents stripe