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]+ 226.122646 150.7
[M+Na]+ 248.104588 157.9
[M-H]- 224.108094 155.4
[M+NH4]+ 243.149193 169.5
[M+K]+ 264.078528 152.5
[M+H-H2O]+ 208.112630 143.4
[M+HCOO]- 270.113571 170.1
[M+CH3COO]- 284.129221 162.6
[M+Na-2H]- 246.090036 154.7
[M]+ 225.11482142 147.0
[M]- 225.11591858 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.