CID 26107

1-aminobutan-2-ol

Structural Information

Molecular Formula
C4H11NO
SMILES
CCC(CN)O
InChI
InChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3
InChIKey
KODLUXHSIZOKTG-UHFFFAOYSA-N
Compound name
1-aminobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

9049
Patents

89.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.091336 116.9
[M+Na]+ 112.07328 125.9
[M+NH4]+ 107.11788 124.9
[M+K]+ 128.04722 121.7
[M-H]- 88.076784 116.4
[M+Na-2H]- 110.05873 120.4
[M]+ 89.083511 117.7
[M]- 89.084609 117.7
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