CID 88442

Ethylene dipivalate

Structural Information

Molecular Formula
C12H22O4
SMILES
CC(C)(C)C(=O)OCCOC(=O)C(C)(C)C
InChI
InChI=1S/C12H22O4/c1-11(2,3)9(13)15-7-8-16-10(14)12(4,5)6/h7-8H2,1-6H3
InChIKey
CECHHHFZXNTPMP-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropanoyloxy)ethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

226
Patents

230.15181 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15909 153.4
[M+Na]+ 253.14103 159.5
[M-H]- 229.14453 153.7
[M+NH4]+ 248.18563 172.0
[M+K]+ 269.11497 160.4
[M+H-H2O]+ 213.14907 149.4
[M+HCOO]- 275.15001 171.8
[M+CH3COO]- 289.16566 191.1
[M+Na-2H]- 251.12648 157.1
[M]+ 230.15126 159.0
[M]- 230.15236 159.0
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