CID 3015059

19344-29-7

Structural Information

Molecular Formula
C5H13NO2
SMILES
C(CNCCO)CO
InChI
InChI=1S/C5H13NO2/c7-4-1-2-6-3-5-8/h6-8H,1-5H2
InChIKey
IFPJFPROEPHIMI-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

944
Patents

119.09463 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.10191 125.3
[M+Na]+ 142.08385 131.1
[M-H]- 118.08735 122.7
[M+NH4]+ 137.12845 146.1
[M+K]+ 158.05779 130.1
[M+H-H2O]+ 102.09189 120.7
[M+HCOO]- 164.09283 147.8
[M+CH3COO]- 178.10848 167.6
[M+Na-2H]- 140.06930 132.0
[M]+ 119.09408 124.4
[M]- 119.09518 124.4
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