CID 6451579

Costic acid

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(=O)O
InChI
InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)/t12-,13+,15-/m1/s1
InChIKey
UJQGVDNQDFTTLZ-VNHYZAJKSA-N
Compound name
2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

296
Patents

234.16199 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 155.6
[M+Na]+ 257.151208 159.4
[M-H]- 233.154714 157.2
[M+NH4]+ 252.195813 175.5
[M+K]+ 273.125148 155.9
[M+H-H2O]+ 217.159250 150.8
[M+HCOO]- 279.160191 168.1
[M+CH3COO]- 293.175841 191.3
[M+Na-2H]- 255.136656 155.8
[M]+ 234.16144142 147.9
[M]- 234.16253858 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.