CID 44148093

84000-73-7

Structural Information

Molecular Formula
C22H42O8
SMILES
CCCCCCCOC(=O)OCCOCCOCCOC(=O)OCCCCCCC
InChI
InChI=1S/C22H42O8/c1-3-5-7-9-11-13-27-21(23)29-19-17-25-15-16-26-18-20-30-22(24)28-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey
KQZRBBXZAHUJHP-UHFFFAOYSA-N
Compound name
2-[2-(2-heptoxycarbonyloxyethoxy)ethoxy]ethyl heptyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.28796 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.295236 217.2
[M+Na]+ 457.277178 223.2
[M-H]- 433.280684 209.5
[M+NH4]+ 452.321783 222.6
[M+K]+ 473.251118 218.0
[M+H-H2O]+ 417.285220 220.1
[M+HCOO]- 479.286161 228.9
[M+CH3COO]- 493.301811 227.5
[M+Na-2H]- 455.262626 205.9
[M]+ 434.28741142 218.9
[M]- 434.28850858 218.9
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.