CID 5363082

7204-29-7

Structural Information

Molecular Formula
C6H10O2
SMILES
C/C=C/COC(=O)C
InChI
InChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h3-4H,5H2,1-2H3/b4-3+
InChIKey
WNHXJHGRIHUOTG-ONEGZZNKSA-N
Compound name
[(E)-but-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

267
Patents

114.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 122.1
[M+Na]+ 137.05730 129.9
[M-H]- 113.06080 122.7
[M+NH4]+ 132.10190 145.1
[M+K]+ 153.03124 130.0
[M+H-H2O]+ 97.065340 118.0
[M+HCOO]- 159.06628 145.9
[M+CH3COO]- 173.08193 168.8
[M+Na-2H]- 135.04275 128.2
[M]+ 114.06753 124.2
[M]- 114.06863 124.2
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