CID 73561

3-amino-1,2-propanediol

Structural Information

Molecular Formula
C3H9NO2
SMILES
C(C(CO)O)N
InChI
InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2
InChIKey
KQIGMPWTAHJUMN-UHFFFAOYSA-N
Compound name
3-aminopropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

20822
Patents

91.06333 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.070606 115.8
[M+Na]+ 114.05255 124.0
[M+NH4]+ 109.09715 123.0
[M+K]+ 130.02649 120.9
[M-H]- 90.056054 114.3
[M+Na-2H]- 112.03800 118.4
[M]+ 91.062781 116.0
[M]- 91.063879 116.0
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