CID 533994

4-ethoxybut-1-ene

Structural Information

Molecular Formula
C6H12O
SMILES
CCOCCC=C
InChI
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3H,1,4-6H2,2H3
InChIKey
DKQFBUMLBKKLLP-UHFFFAOYSA-N
Compound name
4-ethoxybut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

100.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.2
[M+Na]+ 123.07803 131.4
[M+NH4]+ 118.12263 128.8
[M+K]+ 139.05197 124.9
[M-H]- 99.081534 120.2
[M+Na-2H]- 121.06348 124.9
[M]+ 100.08826 121.6
[M]- 100.08936 121.6
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