CID 5463762

Carbonic acid, 4-cycloocten-1-yl methyl ester

Structural Information

Molecular Formula
C10H16O3
SMILES
COC(=O)OC1CCC/C=C\CC1
InChI
InChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3/b3-2-
InChIKey
LDHHCYCOENSXIM-IHWYPQMZSA-N
Compound name
[(4Z)-cyclooct-4-en-1-yl] methyl carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

679
Patents

184.10994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.117216 146.5
[M+Na]+ 207.099158 150.6
[M-H]- 183.102664 148.2
[M+NH4]+ 202.143763 155.5
[M+K]+ 223.073098 151.7
[M+H-H2O]+ 167.107200 143.1
[M+HCOO]- 229.108141 156.0
[M+CH3COO]- 243.123791 220.6
[M+Na-2H]- 205.084606 146.9
[M]+ 184.10939142 146.1
[M]- 184.11048858 146.1
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