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

481
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 129.0
[M+Na]+ 157.08352 135.3
[M-H]- 133.08702 126.4
[M+NH4]+ 152.12812 149.6
[M+K]+ 173.05746 134.7
[M+H-H2O]+ 117.09156 124.6
[M+HCOO]- 179.09250 150.5
[M+CH3COO]- 193.10815 167.8
[M+Na-2H]- 155.06897 135.1
[M]+ 134.09375 130.9
[M]- 134.09485 130.9
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