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]+ 237.18491 157.5
[M+Na]+ 259.16685 165.8
[M-H]- 235.17035 158.3
[M+NH4]+ 254.21145 182.5
[M+K]+ 275.14079 160.8
[M+H-H2O]+ 219.17489 156.3
[M+HCOO]- 281.17583 169.8
[M+CH3COO]- 295.19148 199.2
[M+Na-2H]- 257.15230 160.1
[M]+ 236.17708 166.8
[M]- 236.17818 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.