CID 131751915

(3s,6e)-6-caryophyllen-15-al

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C/CCC(C2CC(C2CC1)(C)C)C=O
InChI
InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)13-9-15(2,3)14(13)8-7-11/h5,10,12-14H,4,6-9H2,1-3H3/b11-5-
InChIKey
VLWNRFXSKLVVEB-WZUFQYTHSA-N
Compound name
(5Z)-6,10,10-trimethylbicyclo[7.2.0]undec-5-ene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 147.6
[M+Na]+ 243.17193 158.7
[M-H]- 219.17543 151.6
[M+NH4]+ 238.21653 152.0
[M+K]+ 259.14587 153.6
[M+H-H2O]+ 203.17997 143.8
[M+HCOO]- 265.18091 153.6
[M+CH3COO]- 279.19656 155.2
[M+Na-2H]- 241.15738 158.1
[M]+ 220.18216 152.7
[M]- 220.18326 152.7
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

No patent data available for this compound.