CID 177843060

859046-57-4

Structural Information

Molecular Formula
C15H20O10
SMILES
CC1C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C(=O)O1)C)C)C)C
InChI
InChI=1S/C15H20O10/c1-6-11(16)22-8(3)13(18)24-10(5)15(20)25-9(4)14(19)23-7(2)12(17)21-6/h6-10H,1-5H3
InChIKey
KPRXDILNGYQRLA-UHFFFAOYSA-N
Compound name
3,6,9,12,15-pentamethyl-1,4,7,10,13-pentaoxacyclopentadecane-2,5,8,11,14-pentone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.10565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.112926 175.2
[M+Na]+ 383.094868 184.9
[M-H]- 359.098374 182.5
[M+NH4]+ 378.139473 179.6
[M+K]+ 399.068808 189.9
[M+H-H2O]+ 343.102910 174.6
[M+HCOO]- 405.103851 187.7
[M+CH3COO]- 419.119501 212.6
[M+Na-2H]- 381.080316 175.8
[M]+ 360.10510142 179.5
[M]- 360.10619858 179.5
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.