CID 44153588

113889-23-9

Structural Information

Molecular Formula
C14H20O2
SMILES
CCCC(=O)OC1C=CC2C1C3CCC2C3
InChI
InChI=1S/C14H20O2/c1-2-3-13(15)16-12-7-6-11-9-4-5-10(8-9)14(11)12/h6-7,9-12,14H,2-5,8H2,1H3
InChIKey
KLEHDRXJJZQKPQ-UHFFFAOYSA-N
Compound name
3-tricyclo[5.2.1.02,6]dec-4-enyl butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

220.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 157.2
[M+Na]+ 243.135548 163.9
[M-H]- 219.139054 160.9
[M+NH4]+ 238.180153 183.5
[M+K]+ 259.109488 161.2
[M+H-H2O]+ 203.143590 153.6
[M+HCOO]- 265.144531 176.9
[M+CH3COO]- 279.160181 190.4
[M+Na-2H]- 241.120996 156.4
[M]+ 220.14578142 158.5
[M]- 220.14687858 158.5
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

patents stripe