CID 14807158

Terrecyclic acid a

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1(C[C@@]23[C@@H](CC[C@@H]1[C@H]2CC(=O)C3=C)C(=O)O)C
InChI
InChI=1S/C15H20O3/c1-8-12(16)6-11-9-4-5-10(13(17)18)15(8,11)7-14(9,2)3/h9-11H,1,4-7H2,2-3H3,(H,17,18)/t9-,10+,11-,15-/m1/s1
InChIKey
SMAWCSOVJJHIOI-JNIYBQFBSA-N
Compound name
(1S,5R,6R,9R)-11,11-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

248.14125 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 156.7
[M+Na]+ 271.130468 164.6
[M-H]- 247.133974 160.9
[M+NH4]+ 266.175073 182.8
[M+K]+ 287.104408 160.2
[M+H-H2O]+ 231.138510 153.9
[M+HCOO]- 293.139451 172.3
[M+CH3COO]- 307.155101 193.5
[M+Na-2H]- 269.115916 156.2
[M]+ 248.14070142 153.7
[M]- 248.14179858 153.7
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

patents stripe