CID 216783

37717-89-8

Structural Information

Molecular Formula
C15H21NO
SMILES
CCC(=O)NC1(CCCC1)CC2=CC=CC=C2
InChI
InChI=1S/C15H21NO/c1-2-14(17)16-15(10-6-7-11-15)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,17)
InChIKey
JRCZFPGAIMFDLY-UHFFFAOYSA-N
Compound name
N-(1-benzylcyclopentyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 157.5
[M+Na]+ 254.15153 167.4
[M+NH4]+ 249.19613 167.5
[M+K]+ 270.12547 160.0
[M-H]- 230.15503 161.5
[M+Na-2H]- 252.13698 165.5
[M]+ 231.16176 160.0
[M]- 231.16286 160.0
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.