CID 8846

Butyl acrylate

Structural Information

Molecular Formula
C7H12O2
SMILES
CCCCOC(=O)C=C
InChI
InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
InChIKey
CQEYYJKEWSMYFG-UHFFFAOYSA-N
Compound name
butyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

295
References

91884
Patents

128.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.6
[M+Na]+ 151.07294 133.9
[M-H]- 127.07644 127.0
[M+NH4]+ 146.11754 148.9
[M+K]+ 167.04688 133.7
[M+H-H2O]+ 111.08098 122.2
[M+HCOO]- 173.08192 150.1
[M+CH3COO]- 187.09757 172.5
[M+Na-2H]- 149.05839 132.1
[M]+ 128.08317 129.1
[M]- 128.08427 129.1
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.