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

2116
Patents

141.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 131.9
[M+Na]+ 164.104588 138.5
[M-H]- 140.108094 133.7
[M+NH4]+ 159.149193 154.0
[M+K]+ 180.078528 137.9
[M+H-H2O]+ 124.112630 126.1
[M+HCOO]- 186.113571 152.7
[M+CH3COO]- 200.129221 174.9
[M+Na-2H]- 162.090036 134.3
[M]+ 141.11482142 130.2
[M]- 141.11591858 130.2
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