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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 177.3
[M+Na]+ 337.21380 183.7
[M-H]- 313.21730 183.5
[M+NH4]+ 332.25840 199.3
[M+K]+ 353.18774 180.4
[M+H-H2O]+ 297.22184 170.5
[M+HCOO]- 359.22278 189.5
[M+CH3COO]- 373.23843 187.8
[M+Na-2H]- 335.19925 178.7
[M]+ 314.22403 177.0
[M]- 314.22513 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.