CID 13401735

1-amino-3-methylbutan-2-one hydrochloride

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(C)C(=O)CN
InChI
InChI=1S/C5H11NO/c1-4(2)5(7)3-6/h4H,3,6H2,1-2H3
InChIKey
UNYDWXGETNKFSJ-UHFFFAOYSA-N
Compound name
1-amino-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

101.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 121.4
[M+Na]+ 124.073278 128.0
[M-H]- 100.076784 121.5
[M+NH4]+ 119.117883 144.0
[M+K]+ 140.047218 128.4
[M+H-H2O]+ 84.081320 116.9
[M+HCOO]- 146.082261 144.3
[M+CH3COO]- 160.097911 171.0
[M+Na-2H]- 122.058726 125.6
[M]+ 101.08351142 119.8
[M]- 101.08460858 119.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe