CID 204317

16146-60-4

Structural Information

Molecular Formula
C21H30O3
SMILES
CC1=C(C(=C(C2=C1OC(CC2)(C)CCC=C(C)C)C)OC(=O)C)C
InChI
InChI=1S/C21H30O3/c1-13(2)9-8-11-21(7)12-10-18-16(5)19(23-17(6)22)14(3)15(4)20(18)24-21/h9H,8,10-12H2,1-7H3
InChIKey
QVAMYDNJVRDGBO-UHFFFAOYSA-N
Compound name
[2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

330.21948 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22676 179.6
[M+Na]+ 353.20870 187.0
[M-H]- 329.21220 184.6
[M+NH4]+ 348.25330 196.4
[M+K]+ 369.18264 184.9
[M+H-H2O]+ 313.21674 173.8
[M+HCOO]- 375.21768 195.1
[M+CH3COO]- 389.23333 216.1
[M+Na-2H]- 351.19415 179.3
[M]+ 330.21893 184.2
[M]- 330.22003 184.2
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