CID 8160

2-butoxyethyl acetate

Structural Information

Molecular Formula
C8H16O3
SMILES
CCCCOCCOC(=O)C
InChI
InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
InChIKey
NQBXSWAWVZHKBZ-UHFFFAOYSA-N
Compound name
2-butoxyethyl acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3
References

70678
Patents

160.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 135.9
[M+Na]+ 183.09916 142.5
[M-H]- 159.10266 136.0
[M+NH4]+ 178.14376 157.0
[M+K]+ 199.07310 143.1
[M+H-H2O]+ 143.10720 131.0
[M+HCOO]- 205.10814 159.1
[M+CH3COO]- 219.12379 178.4
[M+Na-2H]- 181.08461 140.8
[M]+ 160.10939 141.0
[M]- 160.11049 141.0
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