CID 53438916

2-{[(tert-butylperoxy)carbonyl]oxy}ethyl 2-methylprop-2-enoate

Structural Information

Molecular Formula
C11H18O6
SMILES
CC(=C)C(=O)OCCOC(=O)OOC(C)(C)C
InChI
InChI=1S/C11H18O6/c1-8(2)9(12)14-6-7-15-10(13)16-17-11(3,4)5/h1,6-7H2,2-5H3
InChIKey
LLYAMXRMAYTHOH-UHFFFAOYSA-N
Compound name
2-tert-butylperoxycarbonyloxyethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

246.11034 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11762 153.5
[M+Na]+ 269.09956 159.5
[M-H]- 245.10306 153.6
[M+NH4]+ 264.14416 171.0
[M+K]+ 285.07350 161.1
[M+H-H2O]+ 229.10760 148.6
[M+HCOO]- 291.10854 173.4
[M+CH3COO]- 305.12419 191.7
[M+Na-2H]- 267.08501 155.8
[M]+ 246.10979 160.8
[M]- 246.11089 160.8
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

patents stripe