CID 89306

Isobornyl propionate

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC(=O)OC1CC2CCC1(C2(C)C)C
InChI
InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3
InChIKey
FAFMZORPAAGQFV-UHFFFAOYSA-N
Compound name
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

1043
Patents

210.16199 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 150.4
[M+Na]+ 233.15121 158.2
[M+NH4]+ 228.19581 161.9
[M+K]+ 249.12515 152.6
[M-H]- 209.15471 150.1
[M+Na-2H]- 231.13666 153.3
[M]+ 210.16144 151.5
[M]- 210.16254 151.5
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.