CID 53988385

1-(3-aminopyrrolidin-1-yl)propan-1-one

Structural Information

Molecular Formula
C7H14N2O
SMILES
CCC(=O)N1CCC(C1)N
InChI
InChI=1S/C7H14N2O/c1-2-7(10)9-4-3-6(8)5-9/h6H,2-5,8H2,1H3
InChIKey
KDDFKAWLZGLKKF-UHFFFAOYSA-N
Compound name
1-(3-aminopyrrolidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

142.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 132.1
[M+Na]+ 165.09983 138.3
[M-H]- 141.10333 133.5
[M+NH4]+ 160.14443 153.5
[M+K]+ 181.07377 137.5
[M+H-H2O]+ 125.10787 125.9
[M+HCOO]- 187.10881 153.6
[M+CH3COO]- 201.12446 175.3
[M+Na-2H]- 163.08528 134.3
[M]+ 142.11006 128.1
[M]- 142.11116 128.1
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