CID 82111

2-pyrrolidinone, 1-(3-aminopropyl)-

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
2
Annotation Hits

5
References

3818
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 131.1
[M+Na]+ 165.09983 137.4
[M-H]- 141.10333 132.3
[M+NH4]+ 160.14443 152.5
[M+K]+ 181.07377 136.1
[M+H-H2O]+ 125.10787 124.7
[M+HCOO]- 187.10881 153.5
[M+CH3COO]- 201.12446 175.1
[M+Na-2H]- 163.08528 134.5
[M]+ 142.11006 127.8
[M]- 142.11116 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