CID 22352609

4-(2-hydroxyethoxy)butan-1-ol

Structural Information

Molecular Formula
C6H14O3
SMILES
C(CCOCCO)CO
InChI
InChI=1S/C6H14O3/c7-3-1-2-5-9-6-4-8/h7-8H,1-6H2
InChIKey
NAUQRAYPVWKGHO-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethoxy)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

423
Patents

134.0943 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.10158 127.8
[M+Na]+ 157.08352 136.8
[M+NH4]+ 152.12812 134.7
[M+K]+ 173.05746 132.1
[M-H]- 133.08702 125.8
[M+Na-2H]- 155.06897 130.4
[M]+ 134.09375 128.2
[M]- 134.09485 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe