CID 54312659

6410-72-6

Structural Information

Molecular Formula
C14H26O8
SMILES
CCCCOCCOC(=O)OOC(=O)OCCOCCCC
InChI
InChI=1S/C14H26O8/c1-3-5-7-17-9-11-19-13(15)21-22-14(16)20-12-10-18-8-6-4-2/h3-12H2,1-2H3
InChIKey
SLZMTAPWENYSBK-UHFFFAOYSA-N
Compound name
2-butoxyethoxycarbonyloxy 2-butoxyethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

322.16278 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.170056 174.4
[M+Na]+ 345.151998 178.2
[M-H]- 321.155504 173.3
[M+NH4]+ 340.196603 188.6
[M+K]+ 361.125938 179.9
[M+H-H2O]+ 305.160040 167.3
[M+HCOO]- 367.160981 195.9
[M+CH3COO]- 381.176631 203.7
[M+Na-2H]- 343.137446 175.4
[M]+ 322.16223142 187.3
[M]- 322.16332858 187.3
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