CID 3045448

1-(methoxybenzyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC1=CC=CC(=C1)CN2CCCC2=O
InChI
InChI=1S/C12H15NO2/c1-15-11-5-2-4-10(8-11)9-13-7-3-6-12(13)14/h2,4-5,8H,3,6-7,9H2,1H3
InChIKey
RVASCBUPLOEHHL-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.8
[M+Na]+ 228.09950 152.2
[M-H]- 204.10300 150.0
[M+NH4]+ 223.14410 164.2
[M+K]+ 244.07344 149.8
[M+H-H2O]+ 188.10754 137.5
[M+HCOO]- 250.10848 167.1
[M+CH3COO]- 264.12413 184.7
[M+Na-2H]- 226.08495 148.0
[M]+ 205.10973 144.5
[M]- 205.11083 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.