CID 21539430

1-aminopentan-3-onehydrochloride

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

118
Patents

101.08406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 120.9
[M+Na]+ 124.07328 127.7
[M-H]- 100.07678 120.9
[M+NH4]+ 119.11788 143.6
[M+K]+ 140.04722 127.7
[M+H-H2O]+ 84.081320 116.4
[M+HCOO]- 146.08226 144.9
[M+CH3COO]- 160.09791 170.1
[M+Na-2H]- 122.05873 126.4
[M]+ 101.08351 120.0
[M]- 101.08461 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