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

literature stripe

Patent stripe

patents stripe