CID 99510

63512-34-5

Structural Information

Molecular Formula
C13H24O4
SMILES
CC(C)C(=O)OCC(C)(C)COC(=O)C(C)C
InChI
InChI=1S/C13H24O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h9-10H,7-8H2,1-6H3
InChIKey
HACYJIJMLQDPDS-UHFFFAOYSA-N
Compound name
[2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

244.16747 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.174746 158.4
[M+Na]+ 267.156688 163.1
[M-H]- 243.160194 158.2
[M+NH4]+ 262.201293 176.0
[M+K]+ 283.130628 164.2
[M+H-H2O]+ 227.164730 153.6
[M+HCOO]- 289.165671 176.0
[M+CH3COO]- 303.181321 196.8
[M+Na-2H]- 265.142136 158.1
[M]+ 244.16692142 163.7
[M]- 244.16801858 163.7
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

patents stripe