CID 91713492

Ofmveinepscfoo-uhfffaoysa-n

Structural Information

Molecular Formula
C15H28O5
SMILES
CC(C)CCCOC(=O)CCCCC(=O)OCCOC
InChI
InChI=1S/C15H28O5/c1-13(2)7-6-10-19-14(16)8-4-5-9-15(17)20-12-11-18-3/h13H,4-12H2,1-3H3
InChIKey
OFMVEINEPSCFOO-UHFFFAOYSA-N
Compound name
6-O-(2-methoxyethyl) 1-O-(4-methylpentyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.19366 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.200936 172.8
[M+Na]+ 311.182878 176.2
[M-H]- 287.186384 171.7
[M+NH4]+ 306.227483 188.4
[M+K]+ 327.156818 176.3
[M+H-H2O]+ 271.190920 166.3
[M+HCOO]- 333.191861 192.3
[M+CH3COO]- 347.207511 203.4
[M+Na-2H]- 309.168326 171.6
[M]+ 288.19311142 181.4
[M]- 288.19420858 181.4
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.