CID 4

1-aminopropan-2-ol

Structural Information

Molecular Formula
C3H9NO
SMILES
CC(CN)O
InChI
InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
InChIKey
HXKKHQJGJAFBHI-UHFFFAOYSA-N
Compound name
1-aminopropan-2-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

77
References

108033
Patents

75.06841 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.075686 114.0
[M+Na]+ 98.057628 120.9
[M-H]- 74.061134 112.8
[M+NH4]+ 93.102233 137.0
[M+K]+ 114.03157 121.1
[M+H-H2O]+ 58.065670 109.9
[M+HCOO]- 120.06661 136.8
[M+CH3COO]- 134.08226 162.3
[M+Na-2H]- 96.043076 119.9
[M]+ 75.067861 111.1
[M]- 75.068959 111.1
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