CID 4687870

N-[(2-methoxynaphthalen-1-yl)methyl]cyclopentanamine

Structural Information

Molecular Formula
C17H21NO
SMILES
COC1=C(C2=CC=CC=C2C=C1)CNC3CCCC3
InChI
InChI=1S/C17H21NO/c1-19-17-11-10-13-6-2-5-9-15(13)16(17)12-18-14-7-3-4-8-14/h2,5-6,9-11,14,18H,3-4,7-8,12H2,1H3
InChIKey
CCCYAJFXIRKIRB-UHFFFAOYSA-N
Compound name
N-[(2-methoxynaphthalen-1-yl)methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 159.1
[M+Na]+ 278.15153 164.6
[M-H]- 254.15503 166.0
[M+NH4]+ 273.19613 178.4
[M+K]+ 294.12547 160.2
[M+H-H2O]+ 238.15957 151.6
[M+HCOO]- 300.16051 181.5
[M+CH3COO]- 314.17616 170.9
[M+Na-2H]- 276.13698 163.0
[M]+ 255.16176 157.3
[M]- 255.16286 157.3
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.