CID 3024924

Sr 41677

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC1(CC(NC1=O)CC2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C15H21NO3/c1-15(2)9-11(16-14(15)17)7-10-5-6-12(18-3)13(8-10)19-4/h5-6,8,11H,7,9H2,1-4H3,(H,16,17)
InChIKey
AYPBVTIYNBOWCS-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 159.6
[M+Na]+ 286.14135 168.0
[M-H]- 262.14485 164.1
[M+NH4]+ 281.18595 178.6
[M+K]+ 302.11529 164.8
[M+H-H2O]+ 246.14939 153.4
[M+HCOO]- 308.15033 179.6
[M+CH3COO]- 322.16598 195.2
[M+Na-2H]- 284.12680 160.9
[M]+ 263.15158 161.2
[M]- 263.15268 161.2
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.