CID 4961839

3-amino-1-(pyrrolidin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C7H14N2O
SMILES
C1CCN(C1)C(=O)CCN
InChI
InChI=1S/C7H14N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-6,8H2
InChIKey
SIOMCRORFPUYKB-UHFFFAOYSA-N
Compound name
3-amino-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

142.11061 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 132.4
[M+Na]+ 165.09983 137.6
[M-H]- 141.10333 133.5
[M+NH4]+ 160.14443 153.5
[M+K]+ 181.07377 136.9
[M+H-H2O]+ 125.10787 125.8
[M+HCOO]- 187.10881 153.9
[M+CH3COO]- 201.12446 174.1
[M+Na-2H]- 163.08528 135.3
[M]+ 142.11006 128.0
[M]- 142.11116 128.0
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