CID 156622772

Schembl28231787

Structural Information

Molecular Formula
C13H22O3
SMILES
CC/C=C\CCOC(=O)OCC/C=C\CC
InChI
InChI=1S/C13H22O3/c1-3-5-7-9-11-15-13(14)16-12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5-,8-6-
InChIKey
QQKIMZNSIZNXTP-SFECMWDFSA-N
Compound name
bis[(Z)-hex-3-enyl] carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

226.15689 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.16417 156.4
[M+Na]+ 249.14611 161.7
[M-H]- 225.14961 155.7
[M+NH4]+ 244.19071 174.9
[M+K]+ 265.12005 159.7
[M+H-H2O]+ 209.15415 150.7
[M+HCOO]- 271.15509 178.4
[M+CH3COO]- 285.17074 189.7
[M+Na-2H]- 247.13156 158.6
[M]+ 226.15634 161.7
[M]- 226.15744 161.7
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.