CID 66721789

Dimethylmethoxy chromanyl palmitate

Structural Information

Molecular Formula
C28H46O3
SMILES
CCCCCCCCCCCCCCCC(=O)C1=C(C=C2C(=C1)CCC(O2)(C)C)OC
InChI
InChI=1S/C28H46O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)24-21-23-19-20-28(2,3)31-26(23)22-27(24)30-4/h21-22H,5-20H2,1-4H3
InChIKey
JPHRNERQGZBBPQ-UHFFFAOYSA-N
Compound name
1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)hexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

402
Patents

430.3447 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.35198 215.6
[M+Na]+ 453.33392 217.7
[M-H]- 429.33742 217.9
[M+NH4]+ 448.37852 227.3
[M+K]+ 469.30786 213.8
[M+H-H2O]+ 413.34196 207.1
[M+HCOO]- 475.34290 229.3
[M+CH3COO]- 489.35855 235.2
[M+Na-2H]- 451.31937 213.5
[M]+ 430.34415 223.0
[M]- 430.34525 223.0
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

patents stripe