CID 165353410

Dtxsid201189738

Structural Information

Molecular Formula
C17H30O2
SMILES
CCOC(=O)C(C)/C/1=C\CCCCCCCCCC1
InChI
InChI=1S/C17H30O2/c1-3-19-17(18)15(2)16-13-11-9-7-5-4-6-8-10-12-14-16/h13,15H,3-12,14H2,1-2H3/b16-13-
InChIKey
ZGBJFACCFAJNOC-SSZFMOIBSA-N
Compound name
ethyl 2-[(1Z)-cyclododecen-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 166.5
[M+Na]+ 289.21380 167.1
[M-H]- 265.21730 166.0
[M+NH4]+ 284.25840 179.7
[M+K]+ 305.18774 166.5
[M+H-H2O]+ 249.22184 163.0
[M+HCOO]- 311.22278 181.5
[M+CH3COO]- 325.23843 192.5
[M+Na-2H]- 287.19925 164.6
[M]+ 266.22403 158.9
[M]- 266.22513 158.9
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.