CID 134159053

1221262-13-0

Structural Information

Molecular Formula
C20H30O4
SMILES
CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC(=O)O)O
InChI
InChI=1S/C20H30O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h12-13,21H,5-11H2,1-4H3,(H,22,23)/t13-,20+/m0/s1
InChIKey
JFXDIXKMINYLIK-RNODOKPDSA-N
Compound name
(4S)-7-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-4-methylheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.21442 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 182.4
[M+Na]+ 357.203638 187.8
[M-H]- 333.207144 184.1
[M+NH4]+ 352.248243 197.0
[M+K]+ 373.177578 185.4
[M+H-H2O]+ 317.211680 176.6
[M+HCOO]- 379.212621 195.1
[M+CH3COO]- 393.228271 211.2
[M+Na-2H]- 355.189086 182.2
[M]+ 334.21387142 184.8
[M]- 334.21496858 184.8
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.