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]+ 235.169266 157.7
[M+Na]+ 257.151208 166.0
[M-H]- 233.154714 162.8
[M+NH4]+ 252.195813 187.6
[M+K]+ 273.125148 162.0
[M+H-H2O]+ 217.159250 155.4
[M+HCOO]- 279.160191 176.1
[M+CH3COO]- 293.175841 189.3
[M+Na-2H]- 255.136656 158.6
[M]+ 234.16144142 156.8
[M]- 234.16253858 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.