CID 256591

Vinyl pivalate

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)(C)C(=O)OC=C
InChI
InChI=1S/C7H12O2/c1-5-9-6(8)7(2,3)4/h5H,1H2,2-4H3
InChIKey
YCUBDDIKWLELPD-UHFFFAOYSA-N
Compound name
ethenyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

30974
Patents

128.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.9
[M+Na]+ 151.07294 133.8
[M-H]- 127.07644 126.7
[M+NH4]+ 146.11754 148.5
[M+K]+ 167.04688 134.0
[M+H-H2O]+ 111.08098 122.3
[M+HCOO]- 173.08192 147.9
[M+CH3COO]- 187.09757 172.0
[M+Na-2H]- 149.05839 132.2
[M]+ 128.08317 127.9
[M]- 128.08427 127.9
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.