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

723
Patents

184.10994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 146.5
[M+Na]+ 207.09916 150.6
[M-H]- 183.10266 148.2
[M+NH4]+ 202.14376 155.5
[M+K]+ 223.07310 151.7
[M+H-H2O]+ 167.10720 143.1
[M+HCOO]- 229.10814 156.0
[M+CH3COO]- 243.12379 220.6
[M+Na-2H]- 205.08461 146.9
[M]+ 184.10939 146.1
[M]- 184.11049 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