CID 47080

Di(1,3-diisopropyl glycerol ether)carbonate

Structural Information

Molecular Formula
C19H38O7
SMILES
CC(C)OCC(COC(C)C)OC(=O)OC(COC(C)C)COC(C)C
InChI
InChI=1S/C19H38O7/c1-13(2)21-9-17(10-22-14(3)4)25-19(20)26-18(11-23-15(5)6)12-24-16(7)8/h13-18H,9-12H2,1-8H3
InChIKey
WHYSLLUXXUBZGI-UHFFFAOYSA-N
Compound name
bis[1,3-di(propan-2-yloxy)propan-2-yl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.26175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.26903 196.7
[M+Na]+ 401.25097 211.8
[M-H]- 377.25447 202.2
[M+NH4]+ 396.29557 215.2
[M+K]+ 417.22491 200.4
[M+H-H2O]+ 361.25901 189.8
[M+HCOO]- 423.25995 203.3
[M+CH3COO]- 437.27560 223.4
[M+Na-2H]- 399.23642 189.0
[M]+ 378.26120 205.8
[M]- 378.26230 205.8
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.