CID 104679384

3-[(naphthalen-1-yl)methyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C15H15NO
SMILES
C1CNC(=O)C1CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C15H15NO/c17-15-13(8-9-16-15)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10H2,(H,16,17)
InChIKey
KHKKHHIMHSZDOG-UHFFFAOYSA-N
Compound name
3-(naphthalen-1-ylmethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 150.7
[M+Na]+ 248.10459 157.9
[M-H]- 224.10809 155.4
[M+NH4]+ 243.14919 169.5
[M+K]+ 264.07853 152.5
[M+H-H2O]+ 208.11263 143.4
[M+HCOO]- 270.11357 170.1
[M+CH3COO]- 284.12922 162.6
[M+Na-2H]- 246.09004 154.7
[M]+ 225.11482 147.0
[M]- 225.11592 147.0
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.