CID 5148119

3-ethoxybutan-1-ol

Structural Information

Molecular Formula
C6H14O2
SMILES
CCOC(C)CCO
InChI
InChI=1S/C6H14O2/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKey
UTVOVDXBOIGHTP-UHFFFAOYSA-N
Compound name
3-ethoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

649
Patents

118.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 124.8
[M+Na]+ 141.08860 134.5
[M+NH4]+ 136.13320 132.6
[M+K]+ 157.06254 129.7
[M-H]- 117.09210 123.7
[M+Na-2H]- 139.07405 128.1
[M]+ 118.09883 125.6
[M]- 118.09993 125.6
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