CID 82111

7663-77-6

Structural Information

Molecular Formula
C7H14N2O
SMILES
C1CC(=O)N(C1)CCCN
InChI
InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2
InChIKey
HJORCZCMNWLHMB-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

4003
Patents

142.11061 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 131.1
[M+Na]+ 165.099828 137.4
[M-H]- 141.103334 132.3
[M+NH4]+ 160.144433 152.5
[M+K]+ 181.073768 136.1
[M+H-H2O]+ 125.107870 124.7
[M+HCOO]- 187.108811 153.5
[M+CH3COO]- 201.124461 175.1
[M+Na-2H]- 163.085276 134.5
[M]+ 142.11006142 127.8
[M]- 142.11115858 127.8
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