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]+ 227.164166 156.4
[M+Na]+ 249.146108 161.7
[M-H]- 225.149614 155.7
[M+NH4]+ 244.190713 174.9
[M+K]+ 265.120048 159.7
[M+H-H2O]+ 209.154150 150.7
[M+HCOO]- 271.155091 178.4
[M+CH3COO]- 285.170741 189.7
[M+Na-2H]- 247.131556 158.6
[M]+ 226.15634142 161.7
[M]- 226.15743858 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

patents stripe