CID 61448

2-ethylbutyl acetate

Structural Information

Molecular Formula
C8H16O2
SMILES
CCC(CC)COC(=O)C
InChI
InChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3
InChIKey
HQLKZWRSOHTERR-UHFFFAOYSA-N
Compound name
2-ethylbutyl acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6299
Patents

144.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.9
[M+Na]+ 167.10426 142.5
[M+NH4]+ 162.14886 140.4
[M+K]+ 183.07820 137.7
[M-H]- 143.10776 131.8
[M+Na-2H]- 165.08971 135.8
[M]+ 144.11449 133.7
[M]- 144.11559 133.7
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