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]+ 377.26863 195.8
[M+Na]+ 399.25057 199.6
[M-H]- 375.25407 197.0
[M+NH4]+ 394.29517 208.6
[M+K]+ 415.22451 197.2
[M+H-H2O]+ 359.25861 189.8
[M+HCOO]- 421.25955 206.5
[M+CH3COO]- 435.27520 221.1
[M+Na-2H]- 397.23602 192.9
[M]+ 376.26080 198.7
[M]- 376.26190 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.