CID 137288

1-(3-aminophenyl)butan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

163.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 135.2
[M+Na]+ 186.088938 142.3
[M-H]- 162.092444 138.5
[M+NH4]+ 181.133543 155.5
[M+K]+ 202.062878 140.1
[M+H-H2O]+ 146.096980 129.4
[M+HCOO]- 208.097921 159.3
[M+CH3COO]- 222.113571 181.6
[M+Na-2H]- 184.074386 140.1
[M]+ 163.09917142 134.2
[M]- 163.10026858 134.2
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