CID 8345

Bis(2-butoxyethyl) phthalate

Structural Information

Molecular Formula
C20H30O6
SMILES
CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC
InChI
InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
InChIKey
CMCJNODIWQEOAI-UHFFFAOYSA-N
Compound name
bis(2-butoxyethyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

3391
Patents

366.20422 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 190.2
[M+Na]+ 389.19344 193.5
[M-H]- 365.19694 192.2
[M+NH4]+ 384.23804 202.4
[M+K]+ 405.16738 192.2
[M+H-H2O]+ 349.20148 181.7
[M+HCOO]- 411.20242 210.8
[M+CH3COO]- 425.21807 216.1
[M+Na-2H]- 387.17889 189.6
[M]+ 366.20367 200.3
[M]- 366.20477 200.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe