CID 116722

Diisobutyl hexahydrophthalate

Structural Information

Molecular Formula
C16H28O4
SMILES
CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C
InChI
InChI=1S/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3
InChIKey
QUKHPBOCBWDYMW-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

472
Patents

284.19876 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20604 170.5
[M+Na]+ 307.18798 172.4
[M-H]- 283.19148 172.4
[M+NH4]+ 302.23258 186.0
[M+K]+ 323.16192 172.4
[M+H-H2O]+ 267.19602 164.1
[M+HCOO]- 329.19696 185.7
[M+CH3COO]- 343.21261 203.2
[M+Na-2H]- 305.17343 166.7
[M]+ 284.19821 170.8
[M]- 284.19931 170.8
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.