CID 44146658

94030-83-8

Structural Information

Molecular Formula
C15H22O3
SMILES
CC(=O)CC(=O)OCC1CC2CC1C3C2CCC3
InChI
InChI=1S/C15H22O3/c1-9(16)5-15(17)18-8-11-6-10-7-14(11)13-4-2-3-12(10)13/h10-14H,2-8H2,1H3
InChIKey
OAGHHOVAANMDCH-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]decanylmethyl 3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 166.1
[M+Na]+ 273.146108 171.0
[M-H]- 249.149614 169.2
[M+NH4]+ 268.190713 190.8
[M+K]+ 289.120048 168.7
[M+H-H2O]+ 233.154150 162.6
[M+HCOO]- 295.155091 183.2
[M+CH3COO]- 309.170741 195.7
[M+Na-2H]- 271.131556 162.8
[M]+ 250.15634142 166.3
[M]- 250.15743858 166.3
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.