CID 21539430

1-aminopentan-3-one hydrochloride

Structural Information

Molecular Formula
C5H11NO
SMILES
CCC(=O)CCN
InChI
InChI=1S/C5H11NO/c1-2-5(7)3-4-6/h2-4,6H2,1H3
InChIKey
KLHXNCKWUKQVLR-UHFFFAOYSA-N
Compound name
1-aminopentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

101.08406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 120.9
[M+Na]+ 124.073278 127.7
[M-H]- 100.076784 120.9
[M+NH4]+ 119.117883 143.6
[M+K]+ 140.047218 127.7
[M+H-H2O]+ 84.081320 116.4
[M+HCOO]- 146.082261 144.9
[M+CH3COO]- 160.097911 170.1
[M+Na-2H]- 122.058726 126.4
[M]+ 101.08351142 120.0
[M]- 101.08460858 120.0
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