CID 11607913

1-aminobutan-2-one hydrochloride

Structural Information

Molecular Formula
C4H9NO
SMILES
CCC(=O)CN
InChI
InChI=1S/C4H9NO/c1-2-4(6)3-5/h2-3,5H2,1H3
InChIKey
QCWWEZIJUCPALZ-UHFFFAOYSA-N
Compound name
1-aminobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

392
Patents

87.06841 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.9
[M+Na]+ 110.05763 125.6
[M+NH4]+ 105.10223 124.0
[M+K]+ 126.03157 121.0
[M-H]- 86.061134 115.8
[M+Na-2H]- 108.04308 119.9
[M]+ 87.067861 116.9
[M]- 87.068959 116.9
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