CID 68294

2-amino-1,3-propanediol

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

80
References

20265
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 117.5
[M+Na]+ 114.05255 124.0
[M-H]- 90.056054 114.9
[M+NH4]+ 109.09715 139.1
[M+K]+ 130.02649 123.6
[M+H-H2O]+ 74.060590 113.3
[M+HCOO]- 136.06153 139.0
[M+CH3COO]- 150.07718 161.8
[M+Na-2H]- 112.03800 122.8
[M]+ 91.062781 114.1
[M]- 91.063879 114.1
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