CID 22692128

4-amino-1-(pyrrolidin-1-yl)butan-1-one dihydrochloride

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CCN(C1)C(=O)CCCN
InChI
InChI=1S/C8H16N2O/c9-5-3-4-8(11)10-6-1-2-7-10/h1-7,9H2
InChIKey
PQXWFFNPZFYZAZ-UHFFFAOYSA-N
Compound name
4-amino-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.12627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 137.0
[M+Na]+ 179.11549 141.7
[M-H]- 155.11899 137.8
[M+NH4]+ 174.16009 157.5
[M+K]+ 195.08943 140.7
[M+H-H2O]+ 139.12353 130.2
[M+HCOO]- 201.12447 158.1
[M+CH3COO]- 215.14012 177.2
[M+Na-2H]- 177.10094 139.3
[M]+ 156.12572 133.0
[M]- 156.12682 133.0
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