CID 10934480

1025961-88-9

Structural Information

Molecular Formula
C17H32O2
SMILES
CCOC(=O)C(C)C1CCCCCCCCCCC1
InChI
InChI=1S/C17H32O2/c1-3-19-17(18)15(2)16-13-11-9-7-5-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3
InChIKey
RKTCKIMSXQWLTG-UHFFFAOYSA-N
Compound name
ethyl 2-cyclododecylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

268.24023 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24751 167.6
[M+Na]+ 291.22945 175.0
[M+NH4]+ 286.27405 174.2
[M+K]+ 307.20339 168.8
[M-H]- 267.23295 169.4
[M+Na-2H]- 289.21490 170.7
[M]+ 268.23968 168.6
[M]- 268.24078 168.6
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