CID 388310

Nsc683042

Structural Information

Molecular Formula
C21H34O6
SMILES
CC(=O)OCC1C(C=CC(O1)OCCCCCCCCCC=C)OC(=O)C
InChI
InChI=1S/C21H34O6/c1-4-5-6-7-8-9-10-11-12-15-24-21-14-13-19(26-18(3)23)20(27-21)16-25-17(2)22/h4,13-14,19-21H,1,5-12,15-16H2,2-3H3
InChIKey
WJFWWTCVEIIYIF-UHFFFAOYSA-N
Compound name
(3-acetyloxy-6-undec-10-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.23553 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24281 195.8
[M+Na]+ 405.22475 198.0
[M-H]- 381.22825 197.9
[M+NH4]+ 400.26935 206.2
[M+K]+ 421.19869 197.1
[M+H-H2O]+ 365.23279 187.8
[M+HCOO]- 427.23373 212.4
[M+CH3COO]- 441.24938 220.6
[M+Na-2H]- 403.21020 193.3
[M]+ 382.23498 203.9
[M]- 382.23608 203.9
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.