CID 131752508

1,3,11(13)-eudesmatrien-12-oic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1=CC=CC2(C1CC(CC2)C(=C)C(=O)O)C
InChI
InChI=1S/C15H20O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h4-5,7,12-13H,2,6,8-9H2,1,3H3,(H,16,17)
InChIKey
WUAXEEZNSBQKSA-UHFFFAOYSA-N
Compound name
2-(4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 153.8
[M+Na]+ 255.13555 159.4
[M-H]- 231.13905 156.3
[M+NH4]+ 250.18015 174.1
[M+K]+ 271.10949 156.1
[M+H-H2O]+ 215.14359 148.8
[M+HCOO]- 277.14453 169.2
[M+CH3COO]- 291.16018 191.3
[M+Na-2H]- 253.12100 156.0
[M]+ 232.14578 149.8
[M]- 232.14688 149.8
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.