CID 15565026

4-aminobutan-2-one hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

988
Patents

87.06841 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 116.3
[M+Na]+ 110.05763 123.5
[M-H]- 86.061134 116.4
[M+NH4]+ 105.10223 139.5
[M+K]+ 126.03157 123.7
[M+H-H2O]+ 70.065670 111.9
[M+HCOO]- 132.06661 140.5
[M+CH3COO]- 146.08226 167.0
[M+Na-2H]- 108.04308 122.3
[M]+ 87.067861 115.0
[M]- 87.068959 115.0
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