CID 25354

N-propylbenzamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CCCNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
InChIKey
DYZWXBMTHNHXML-UHFFFAOYSA-N
Compound name
N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

873
Patents

163.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 136.0
[M+Na]+ 186.08894 147.8
[M+NH4]+ 181.13354 144.6
[M+K]+ 202.06288 141.0
[M-H]- 162.09244 138.7
[M+Na-2H]- 184.07439 143.3
[M]+ 163.09917 138.3
[M]- 163.10027 138.3
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