CID 134159054

1215088-64-4

Structural Information

Molecular Formula
C23H36O4
SMILES
CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)C(=O)O)O
InChI
InChI=1S/C23H36O4/c1-15(8-6-10-16(2)22(25)26)9-7-12-23(5)13-11-19-14-20(24)17(3)18(4)21(19)27-23/h14-16,24H,6-13H2,1-5H3,(H,25,26)/t15-,16+,23-/m1/s1
InChIKey
ODQOKHVJIYTOQE-VBURHUQHSA-N
Compound name
(2S,6R)-9-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.26135 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.268626 195.8
[M+Na]+ 399.250568 199.6
[M-H]- 375.254074 197.0
[M+NH4]+ 394.295173 208.6
[M+K]+ 415.224508 197.2
[M+H-H2O]+ 359.258610 189.8
[M+HCOO]- 421.259551 206.5
[M+CH3COO]- 435.275201 221.1
[M+Na-2H]- 397.236016 192.9
[M]+ 376.26080142 198.7
[M]- 376.26189858 198.7
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.