CID 93835

Methyl 2-(acetyloxy)-2-methylpropanoate

Structural Information

Molecular Formula
C7H12O4
SMILES
CC(=O)OC(C)(C)C(=O)OC
InChI
InChI=1S/C7H12O4/c1-5(8)11-7(2,3)6(9)10-4/h1-4H3
InChIKey
OYUDDYMUZSIFDB-UHFFFAOYSA-N
Compound name
methyl 2-acetyloxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

160.07356 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 131.4
[M+Na]+ 183.062778 138.9
[M-H]- 159.066284 132.1
[M+NH4]+ 178.107383 152.5
[M+K]+ 199.036718 140.5
[M+H-H2O]+ 143.070820 127.4
[M+HCOO]- 205.071761 152.8
[M+CH3COO]- 219.087411 176.9
[M+Na-2H]- 181.048226 136.5
[M]+ 160.07301142 135.7
[M]- 160.07410858 135.7
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