CID 23620302

Kmxfgdludavgos-uhfffaoysa-n

Structural Information

Molecular Formula
C18H26O5
SMILES
CCCCOC(C)OC(=O)C1=CC=CC=C1C(=O)OCCCC
InChI
InChI=1S/C18H26O5/c1-4-6-12-21-14(3)23-18(20)16-11-9-8-10-15(16)17(19)22-13-7-5-2/h8-11,14H,4-7,12-13H2,1-3H3
InChIKey
KMXFGDLUDAVGOS-UHFFFAOYSA-N
Compound name
2-O-(1-butoxyethyl) 1-O-butyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.178 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.185276 178.6
[M+Na]+ 345.167218 182.7
[M-H]- 321.170724 181.1
[M+NH4]+ 340.211823 192.7
[M+K]+ 361.141158 181.8
[M+H-H2O]+ 305.175260 171.0
[M+HCOO]- 367.176201 198.7
[M+CH3COO]- 381.191851 209.0
[M+Na-2H]- 343.152666 177.8
[M]+ 322.17745142 186.0
[M]- 322.17854858 186.0
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.