CID 12598335

51773-49-0

Structural Information

Molecular Formula
C20H26O3
SMILES
CC[C@]1([C@H](CCC1=O)O)C/C=C/2\CCCC3=C2C=CC(=C3)OC
InChI
InChI=1S/C20H26O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13,18,21H,3-6,9-10,12H2,1-2H3/b14-11+/t18-,20+/m0/s1
InChIKey
ZXYHLOFRRMDJAQ-OUBQQWGRSA-N
Compound name
(2R,3S)-2-ethyl-3-hydroxy-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.1882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 177.4
[M+Na]+ 337.17742 188.1
[M+NH4]+ 332.22202 186.7
[M+K]+ 353.15136 180.3
[M-H]- 313.18092 180.4
[M+Na-2H]- 335.16287 181.9
[M]+ 314.18765 179.7
[M]- 314.18875 179.7
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

patents stripe