CID 47083

Bis(2-methylallyl) carbonate

Structural Information

Molecular Formula
C9H14O3
SMILES
CC(=C)COC(=O)OCC(=C)C
InChI
InChI=1S/C9H14O3/c1-7(2)5-11-9(10)12-6-8(3)4/h1,3,5-6H2,2,4H3
InChIKey
SKCUYCAPQSWGBP-UHFFFAOYSA-N
Compound name
bis(2-methylprop-2-enyl) carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

338
Patents

170.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 137.5
[M+Na]+ 193.08352 143.9
[M-H]- 169.08702 137.7
[M+NH4]+ 188.12812 158.0
[M+K]+ 209.05746 143.9
[M+H-H2O]+ 153.09156 132.8
[M+HCOO]- 215.09250 158.8
[M+CH3COO]- 229.10815 180.6
[M+Na-2H]- 191.06897 139.5
[M]+ 170.09375 140.2
[M]- 170.09485 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe