CID 82680

1-ethylvinyl acetate

Structural Information

Molecular Formula
C6H10O2
SMILES
CCC(=C)OC(=O)C
InChI
InChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h2,4H2,1,3H3
InChIKey
BVCLXNHIJBDDTH-UHFFFAOYSA-N
Compound name
but-1-en-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

4603
Patents

114.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 122.0
[M+Na]+ 137.05730 129.5
[M-H]- 113.06080 122.6
[M+NH4]+ 132.10190 144.8
[M+K]+ 153.03124 130.0
[M+H-H2O]+ 97.065340 117.9
[M+HCOO]- 159.06628 144.8
[M+CH3COO]- 173.08193 170.3
[M+Na-2H]- 135.04275 126.8
[M]+ 114.06753 123.5
[M]- 114.06863 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe