CID 3045447

2-pyrrolidinone, 1-((4-methoxyphenyl)methyl)-

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC1=CC=C(C=C1)CN2CCCC2=O
InChI
InChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)9-13-8-2-3-12(13)14/h4-7H,2-3,8-9H2,1H3
InChIKey
JFXXBYZUNOVBOQ-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

205.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 144.8
[M+Na]+ 228.099498 152.2
[M-H]- 204.103004 150.0
[M+NH4]+ 223.144103 164.2
[M+K]+ 244.073438 149.8
[M+H-H2O]+ 188.107540 137.5
[M+HCOO]- 250.108481 167.1
[M+CH3COO]- 264.124131 184.7
[M+Na-2H]- 226.084946 148.0
[M]+ 205.10973142 144.5
[M]- 205.11082858 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

literature stripe

Patent stripe

patents stripe