CID 42604732

Silphinene-15-oate

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@@]12CC=C[C@@]13[C@@H](CC[C@H]3C(C2)(C)C)C(=O)O
InChI
InChI=1S/C15H22O2/c1-13(2)9-14(3)7-4-8-15(14)10(12(16)17)5-6-11(13)15/h4,8,10-11H,5-7,9H2,1-3H3,(H,16,17)/t10-,11-,14-,15-/m0/s1
InChIKey
YYTIOTLIOKVKTE-GVARAGBVSA-N
Compound name
(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 157.7
[M+Na]+ 257.15121 166.0
[M-H]- 233.15471 162.8
[M+NH4]+ 252.19581 187.6
[M+K]+ 273.12515 162.0
[M+H-H2O]+ 217.15925 155.4
[M+HCOO]- 279.16019 176.1
[M+CH3COO]- 293.17584 189.3
[M+Na-2H]- 255.13666 158.6
[M]+ 234.16144 156.8
[M]- 234.16254 156.8
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.