CID 115844

64644-34-4

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(=O)OCC1CC2C3CCC(C3)C2C1
InChI
InChI=1S/C13H20O2/c1-8(14)15-7-9-4-12-10-2-3-11(6-10)13(12)5-9/h9-13H,2-7H2,1H3
InChIKey
DOTCCDYHDBZAAY-UHFFFAOYSA-N
Compound name
4-tricyclo[5.2.1.02,6]decanylmethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

208.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 154.4
[M+Na]+ 231.135548 160.4
[M-H]- 207.139054 157.8
[M+NH4]+ 226.180153 181.0
[M+K]+ 247.109488 158.1
[M+H-H2O]+ 191.143590 150.9
[M+HCOO]- 253.144531 172.8
[M+CH3COO]- 267.160181 187.9
[M+Na-2H]- 229.120996 153.1
[M]+ 208.14578142 153.8
[M]- 208.14687858 153.8
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