CID 9086

3-aminopropan-1-ol

Structural Information

Molecular Formula
C3H9NO
SMILES
C(CN)CO
InChI
InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
InChIKey
WUGQZFFCHPXWKQ-UHFFFAOYSA-N
Compound name
3-aminopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

58
References

67135
Patents

75.06841 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.075686 111.8
[M+Na]+ 98.057628 121.3
[M+NH4]+ 93.102233 120.0
[M+K]+ 114.03157 116.6
[M-H]- 74.061134 111.5
[M+Na-2H]- 96.043076 115.9
[M]+ 75.067861 112.7
[M]- 75.068959 112.7
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