CID 43137

59921-88-9

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CCN(C1)CCCC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H21NO/c20-18(8-5-13-19-11-3-4-12-19)17-10-9-15-6-1-2-7-16(15)14-17/h1-2,6-7,9-10,14H,3-5,8,11-13H2
InChIKey
FTMHBSSIMUBPAX-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-4-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 164.9
[M+Na]+ 290.151538 169.8
[M-H]- 266.155044 169.9
[M+NH4]+ 285.196143 182.2
[M+K]+ 306.125478 165.0
[M+H-H2O]+ 250.159580 156.4
[M+HCOO]- 312.160521 183.7
[M+CH3COO]- 326.176171 175.5
[M+Na-2H]- 288.136986 167.0
[M]+ 267.16177142 162.8
[M]- 267.16286858 162.8
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.