CID 11989721

2-pyrrolidinone, 1-(1-methylpropyl)-

Structural Information

Molecular Formula
C8H15NO
SMILES
CCC(C)N1CCCC1=O
InChI
InChI=1S/C8H15NO/c1-3-7(2)9-6-4-5-8(9)10/h7H,3-6H2,1-2H3
InChIKey
FAAHNQAYWKTLFD-UHFFFAOYSA-N
Compound name
1-butan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2227
Patents

141.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 132.4
[M+Na]+ 164.10459 142.1
[M+NH4]+ 159.14919 140.6
[M+K]+ 180.07853 138.5
[M-H]- 140.10809 132.8
[M+Na-2H]- 162.09004 136.0
[M]+ 141.11482 133.6
[M]- 141.11592 133.6
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

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