CID 8131

4-ethoxybutan-1-ol

Structural Information

Molecular Formula
C6H14O2
SMILES
CCOCCCCO
InChI
InChI=1S/C6H14O2/c1-2-8-6-4-3-5-7/h7H,2-6H2,1H3
InChIKey
QRUOTIJTSNETKW-UHFFFAOYSA-N
Compound name
4-ethoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2533
Patents

118.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 124.3
[M+Na]+ 141.08860 134.4
[M+NH4]+ 136.13320 132.2
[M+K]+ 157.06254 128.8
[M-H]- 117.09210 123.5
[M+Na-2H]- 139.07405 128.0
[M]+ 118.09883 125.3
[M]- 118.09993 125.3
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