CID 8072

2-(ethylamino)ethanol

Structural Information

Molecular Formula
C4H11NO
SMILES
CCNCCO
InChI
InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
InChIKey
MIJDSYMOBYNHOT-UHFFFAOYSA-N
Compound name
2-(ethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

57717
Patents

89.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.091336 117.4
[M+Na]+ 112.07328 124.1
[M-H]- 88.076784 116.5
[M+NH4]+ 107.11788 140.2
[M+K]+ 128.04722 123.9
[M+H-H2O]+ 72.081320 113.1
[M+HCOO]- 134.08226 141.5
[M+CH3COO]- 148.09791 165.2
[M+Na-2H]- 110.05873 125.2
[M]+ 89.083511 116.6
[M]- 89.084609 116.6
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