CID 88484

N-pentylbenzamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CCCCCNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H17NO/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14)
InChIKey
LZDRLYMZVCFDSN-UHFFFAOYSA-N
Compound name
N-pentylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

191.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 145.0
[M+Na]+ 214.12023 156.4
[M+NH4]+ 209.16483 153.3
[M+K]+ 230.09417 149.1
[M-H]- 190.12373 147.6
[M+Na-2H]- 212.10568 151.8
[M]+ 191.13046 147.2
[M]- 191.13156 147.2
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