CID 3071635

N-(2-(7-methoxynaphth-1-yl)ethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C17H19NO2
SMILES
COC1=CC2=C(C=CC=C2CCN3CCCC3=O)C=C1
InChI
InChI=1S/C17H19NO2/c1-20-15-8-7-13-4-2-5-14(16(13)12-15)9-11-18-10-3-6-17(18)19/h2,4-5,7-8,12H,3,6,9-11H2,1H3
InChIKey
WVCJRSXAPLOQKL-UHFFFAOYSA-N
Compound name
1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

269.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 162.9
[M+Na]+ 292.13079 170.4
[M-H]- 268.13429 168.9
[M+NH4]+ 287.17539 180.8
[M+K]+ 308.10473 166.0
[M+H-H2O]+ 252.13883 154.9
[M+HCOO]- 314.13977 183.3
[M+CH3COO]- 328.15542 198.5
[M+Na-2H]- 290.11624 165.5
[M]+ 269.14102 163.5
[M]- 269.14212 163.5
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