CID 721131

N-(4-aminophenyl)butanamide

Structural Information

Molecular Formula
C10H14N2O
SMILES
CCCC(=O)NC1=CC=C(C=C1)N
InChI
InChI=1S/C10H14N2O/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h4-7H,2-3,11H2,1H3,(H,12,13)
InChIKey
LFXCELCZRVHGIJ-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

178.11061 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.5
[M+Na]+ 201.09983 145.7
[M-H]- 177.10333 142.7
[M+NH4]+ 196.14443 158.8
[M+K]+ 217.07377 143.5
[M+H-H2O]+ 161.10787 133.1
[M+HCOO]- 223.10881 164.6
[M+CH3COO]- 237.12446 185.9
[M+Na-2H]- 199.08528 144.6
[M]+ 178.11006 137.6
[M]- 178.11116 137.6
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