CID 110801

Bornyl valerate

Structural Information

Molecular Formula
C15H26O2
SMILES
CCCCC(=O)OC1CC2CCC1(C2(C)C)C
InChI
InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3
InChIKey
ILUAVCBOWYHFAI-UHFFFAOYSA-N
Compound name
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) pentanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

173
Patents

238.19328 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 159.1
[M+Na]+ 261.18250 166.5
[M+NH4]+ 256.22710 170.2
[M+K]+ 277.15644 160.4
[M-H]- 237.18600 158.7
[M+Na-2H]- 259.16795 161.5
[M]+ 238.19273 160.1
[M]- 238.19383 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe