CID 7819

Isobutyl acrylate

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)COC(=O)C=C
InChI
InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKey
CFVWNXQPGQOHRJ-UHFFFAOYSA-N
Compound name
2-methylpropyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4
References

111256
Patents

128.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.7
[M+Na]+ 151.07294 133.8
[M-H]- 127.07644 127.2
[M+NH4]+ 146.11754 149.0
[M+K]+ 167.04688 134.1
[M+H-H2O]+ 111.08098 122.5
[M+HCOO]- 173.08192 149.2
[M+CH3COO]- 187.09757 173.3
[M+Na-2H]- 149.05839 131.0
[M]+ 128.08317 128.6
[M]- 128.08427 128.6
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.