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]+ 233.153606 153.8
[M+Na]+ 255.135548 159.4
[M-H]- 231.139054 156.3
[M+NH4]+ 250.180153 174.1
[M+K]+ 271.109488 156.1
[M+H-H2O]+ 215.143590 148.8
[M+HCOO]- 277.144531 169.2
[M+CH3COO]- 291.160181 191.3
[M+Na-2H]- 253.120996 156.0
[M]+ 232.14578142 149.8
[M]- 232.14687858 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.