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]+ 335.22170 182.4
[M+Na]+ 357.20364 187.8
[M-H]- 333.20714 184.1
[M+NH4]+ 352.24824 197.0
[M+K]+ 373.17758 185.4
[M+H-H2O]+ 317.21168 176.6
[M+HCOO]- 379.21262 195.1
[M+CH3COO]- 393.22827 211.2
[M+Na-2H]- 355.18909 182.2
[M]+ 334.21387 184.8
[M]- 334.21497 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.