CID 3041220

2-pyrrolidinone, 1-(4-aminobutyl)-

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CC(=O)N(C1)CCCCN
InChI
InChI=1S/C8H16N2O/c9-5-1-2-6-10-7-3-4-8(10)11/h1-7,9H2
InChIKey
NJMVKNDAEBCSSC-UHFFFAOYSA-N
Compound name
1-(4-aminobutyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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 135.6
[M+Na]+ 179.11549 141.5
[M-H]- 155.11899 136.7
[M+NH4]+ 174.16009 156.4
[M+K]+ 195.08943 140.0
[M+H-H2O]+ 139.12353 129.0
[M+HCOO]- 201.12447 157.7
[M+CH3COO]- 215.14012 178.2
[M+Na-2H]- 177.10094 138.5
[M]+ 156.12572 132.7
[M]- 156.12682 132.7
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