CID 24989

2-(1-ethylamyloxy)ethanol

Structural Information

Molecular Formula
C9H20O2
SMILES
CCCCC(CC)OCCO
InChI
InChI=1S/C9H20O2/c1-3-5-6-9(4-2)11-8-7-10/h9-10H,3-8H2,1-2H3
InChIKey
BITOXCKNAKLGLN-UHFFFAOYSA-N
Compound name
2-heptan-3-yloxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

160.14633 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 140.0
[M+Na]+ 183.13555 145.4
[M-H]- 159.13905 138.4
[M+NH4]+ 178.18015 160.4
[M+K]+ 199.10949 144.8
[M+H-H2O]+ 143.14359 135.2
[M+HCOO]- 205.14453 160.8
[M+CH3COO]- 219.16018 178.4
[M+Na-2H]- 181.12100 143.7
[M]+ 160.14578 142.8
[M]- 160.14688 142.8
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