CID 54035341

2-(2-methoxyethoxy)ethyl 8-[(1r,2s)-2-octylcyclopropyl]octanoate

Structural Information

Molecular Formula
C24H46O4
SMILES
CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)OCCOCCOC
InChI
InChI=1S/C24H46O4/c1-3-4-5-6-8-11-14-22-21-23(22)15-12-9-7-10-13-16-24(25)28-20-19-27-18-17-26-2/h22-23H,3-21H2,1-2H3/t22-,23+/m0/s1
InChIKey
LINQKXSEKAWBOU-XZOQPEGZSA-N
Compound name
2-(2-methoxyethoxy)ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.3396 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.34688 204.9
[M+Na]+ 421.32882 207.6
[M-H]- 397.33232 206.6
[M+NH4]+ 416.37342 211.9
[M+K]+ 437.30276 203.0
[M+H-H2O]+ 381.33686 196.3
[M+HCOO]- 443.33780 223.3
[M+CH3COO]- 457.35345 228.6
[M+Na-2H]- 419.31427 201.6
[M]+ 398.33905 218.5
[M]- 398.34015 218.5
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

No patent data available for this compound.