CID 15390307

Carbonic acid, methyl octahydro-1-pentalenyl ester

Structural Information

Molecular Formula
C10H16O3
SMILES
COC(=O)OC1CCC2C1CCC2
InChI
InChI=1S/C10H16O3/c1-12-10(11)13-9-6-5-7-3-2-4-8(7)9/h7-9H,2-6H2,1H3
InChIKey
JYBGMFCPBCGCMQ-UHFFFAOYSA-N
Compound name
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 143.2
[M+Na]+ 207.099158 149.1
[M-H]- 183.102664 147.1
[M+NH4]+ 202.143763 167.4
[M+K]+ 223.073098 148.6
[M+H-H2O]+ 167.107200 138.5
[M+HCOO]- 229.108141 164.1
[M+CH3COO]- 243.123791 179.2
[M+Na-2H]- 205.084606 144.3
[M]+ 184.10939142 142.5
[M]- 184.11048858 142.5
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.