CID 54685126

Elasnin

Structural Information

Molecular Formula
C24H40O4
SMILES
CCCCCC(=O)C(CCCC)C1=C(C(=C(C(=O)O1)CCCC)O)CCCC
InChI
InChI=1S/C24H40O4/c1-5-9-13-17-21(25)18(14-10-6-2)23-19(15-11-7-3)22(26)20(16-12-8-4)24(27)28-23/h18,26H,5-17H2,1-4H3
InChIKey
SNSPVFCYLPZTRZ-UHFFFAOYSA-N
Compound name
3,5-dibutyl-4-hydroxy-6-(6-oxoundecan-5-yl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

54
Patents

392.29266 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.29994 202.7
[M+Na]+ 415.28188 206.8
[M-H]- 391.28538 204.3
[M+NH4]+ 410.32648 212.8
[M+K]+ 431.25582 203.4
[M+H-H2O]+ 375.28992 194.9
[M+HCOO]- 437.29086 218.9
[M+CH3COO]- 451.30651 226.7
[M+Na-2H]- 413.26733 198.2
[M]+ 392.29211 211.4
[M]- 392.29321 211.4
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.