CID 131752692

Beta-santalic acid

Structural Information

Molecular Formula
C15H22O2
SMILES
C/C(=C/CCC1(C2CCC(C2)C1=C)C)/C(=O)O
InChI
InChI=1S/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/b10-5-
InChIKey
PMCPDNGTLRPFQQ-YHYXMXQVSA-N
Compound name
(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

234.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 159.2
[M+Na]+ 257.15121 165.7
[M+NH4]+ 252.19581 167.9
[M+K]+ 273.12515 162.1
[M-H]- 233.15471 157.6
[M+Na-2H]- 255.13666 158.8
[M]+ 234.16144 159.3
[M]- 234.16254 159.3
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

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