CID 13604930

1-(4-aminophenyl)-2-(methylamino)propan-1-one hydrochloride

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC(C(=O)C1=CC=C(C=C1)N)NC
InChI
InChI=1S/C10H14N2O/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,11H2,1-2H3
InChIKey
YFLBLWKEVCKNAG-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-2-(methylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.9
[M+Na]+ 201.09983 145.8
[M-H]- 177.10333 143.1
[M+NH4]+ 196.14443 159.1
[M+K]+ 217.07377 144.1
[M+H-H2O]+ 161.10787 133.6
[M+HCOO]- 223.10881 163.9
[M+CH3COO]- 237.12446 187.5
[M+Na-2H]- 199.08528 143.7
[M]+ 178.11006 137.4
[M]- 178.11116 137.4
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

patents stripe