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]+ 232.169586 156.3
[M+Na]+ 254.151528 160.5
[M-H]- 230.155034 162.1
[M+NH4]+ 249.196133 177.1
[M+K]+ 270.125468 157.4
[M+H-H2O]+ 214.159570 149.5
[M+HCOO]- 276.160511 178.7
[M+CH3COO]- 290.176161 191.4
[M+Na-2H]- 252.136976 159.5
[M]+ 231.16176142 153.2
[M]- 231.16285858 153.2
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.