CID 91058

2-butenyl acrylate

Structural Information

Molecular Formula
C7H10O2
SMILES
CC=CCOC(=O)C=C
InChI
InChI=1S/C7H10O2/c1-3-5-6-9-7(8)4-2/h3-5H,2,6H2,1H3
InChIKey
COXYCFKHVQFUPA-UHFFFAOYSA-N
Compound name
but-2-enyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5536
Patents

126.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 127.1
[M+Na]+ 149.05730 137.4
[M+NH4]+ 144.10190 134.3
[M+K]+ 165.03124 131.8
[M-H]- 125.06080 125.8
[M+Na-2H]- 147.04275 130.4
[M]+ 126.06753 127.9
[M]- 126.06863 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

patents stripe