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
5
Annotation Hits

58
References

89905
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 113.2
[M+Na]+ 98.057628 120.4
[M-H]- 74.061134 112.0
[M+NH4]+ 93.102233 136.3
[M+K]+ 114.03157 120.1
[M+H-H2O]+ 58.065670 109.1
[M+HCOO]- 120.06661 137.0
[M+CH3COO]- 134.08226 161.4
[M+Na-2H]- 96.043076 120.5
[M]+ 75.067861 111.0
[M]- 75.068959 111.0
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