CID 6480075

(+)-bornyl piperate

Structural Information

Molecular Formula
C22H26O4
SMILES
C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)/C=C/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C22H26O4/c1-21(2)16-10-11-22(21,3)19(13-16)26-20(23)7-5-4-6-15-8-9-17-18(12-15)25-14-24-17/h4-9,12,16,19H,10-11,13-14H2,1-3H3/b6-4+,7-5+/t16-,19+,22+/m0/s1
InChIKey
PRQIQLZCTBYMPT-MLARAPGSSA-N
Compound name
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

354.1831 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 187.0
[M+Na]+ 377.17232 194.2
[M-H]- 353.17582 194.9
[M+NH4]+ 372.21692 209.1
[M+K]+ 393.14626 191.0
[M+H-H2O]+ 337.18036 184.0
[M+HCOO]- 399.18130 202.8
[M+CH3COO]- 413.19695 211.9
[M+Na-2H]- 375.15777 186.4
[M]+ 354.18255 190.7
[M]- 354.18365 190.7
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.