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]+ 225.18491 152.8
[M+Na]+ 247.16685 155.0
[M-H]- 223.17035 152.8
[M+NH4]+ 242.21145 167.8
[M+K]+ 263.14079 154.6
[M+H-H2O]+ 207.17489 149.7
[M+HCOO]- 269.17583 169.8
[M+CH3COO]- 283.19148 182.7
[M+Na-2H]- 245.15230 153.7
[M]+ 224.17708 144.8
[M]- 224.17818 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