CID 12270070

1-(methylamino)acetone hydrochloride

Structural Information

Molecular Formula
C4H9NO
SMILES
CC(=O)CNC
InChI
InChI=1S/C4H9NO/c1-4(6)3-5-2/h5H,3H2,1-2H3
InChIKey
UNCPWMREXAOVOD-UHFFFAOYSA-N
Compound name
1-(methylamino)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

521
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 125.8
[M+NH4]+ 105.10223 124.2
[M+K]+ 126.03157 121.0
[M-H]- 86.061134 115.9
[M+Na-2H]- 108.04308 120.4
[M]+ 87.067861 117.0
[M]- 87.068959 117.0
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