CID 14467331

Dihydro-alpha-santalic acid

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(CCCC1(C2CC3C1(C3C2)C)C)C(=O)O
InChI
InChI=1S/C15H24O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKey
GDGGAJNITUJKMP-UHFFFAOYSA-N
Compound name
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 157.5
[M+Na]+ 259.166848 165.8
[M-H]- 235.170354 158.3
[M+NH4]+ 254.211453 182.5
[M+K]+ 275.140788 160.8
[M+H-H2O]+ 219.174890 156.3
[M+HCOO]- 281.175831 169.8
[M+CH3COO]- 295.191481 199.2
[M+Na-2H]- 257.152296 160.1
[M]+ 236.17708142 166.8
[M]- 236.17817858 166.8
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.