CID 71438014

Normammein

Structural Information

Molecular Formula
C21H26O5
SMILES
CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CCC)O)CC=C(C)C)O
InChI
InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-17(13)19(24)14(10-9-12(3)4)20(25)18(21)15(22)8-6-2/h9,11,24-25H,5-8,10H2,1-4H3
InChIKey
KXLBWJRELYDBOS-UHFFFAOYSA-N
Compound name
8-butanoyl-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.178 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18528 185.5
[M+Na]+ 381.16722 193.6
[M-H]- 357.17072 188.4
[M+NH4]+ 376.21182 197.6
[M+K]+ 397.14116 190.1
[M+H-H2O]+ 341.17526 178.8
[M+HCOO]- 403.17620 201.3
[M+CH3COO]- 417.19185 216.9
[M+Na-2H]- 379.15267 184.1
[M]+ 358.17745 191.5
[M]- 358.17855 191.5
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

No patent data available for this compound.