CID 484451

Isopropyl-methoxy-dimethyl-[?]

Structural Information

Molecular Formula

C₂₁H₃₀O₂

SMILES

CC(C)C1=C(C=CC2=C1C[C@@H]3[C@@H]4[C@@]2(CCCC4(C)C)CO3)OC

InChI

InChI=1S/C21H30O2/c1-13(2)18-14-11-17-19-20(3,4)9-6-10-21(19,12-23-17)15(14)7-8-16(18)22-5/h7-8,13,17,19H,6,9-12H2,1-5H3/t17-,19+,21+/m1/s1

InChIKey

YODNLIKLRWHBME-LMNJBCLMSA-N

Compound name

(1R,9R,10S)-5-methoxy-11,11-dimethyl-6-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 314.22458 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.231856	177.3
[M+Na]+	337.213798	183.7
[M-H]-	313.217304	183.5
[M+NH4]+	332.258403	199.3
[M+K]+	353.187738	180.4
[M+H-H2O]+	297.221840	170.5
[M+HCOO]-	359.222781	189.5
[M+CH3COO]-	373.238431	187.8
[M+Na-2H]-	335.199246	178.7
[M]+	314.22403142	177.0
[M]-	314.22512858	177.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.