CID 12487189

2-amino-1-[4-(dimethylamino)phenyl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C10H14N2O
SMILES
CN(C)C1=CC=C(C=C1)C(=O)CN
InChI
InChI=1S/C10H14N2O/c1-12(2)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7,11H2,1-2H3
InChIKey
FOGZYFNWMAZPMD-UHFFFAOYSA-N
Compound name
2-amino-1-[4-(dimethylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

178.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.4
[M+Na]+ 201.09983 145.7
[M-H]- 177.10333 144.1
[M+NH4]+ 196.14443 159.3
[M+K]+ 217.07377 145.0
[M+H-H2O]+ 161.10787 132.8
[M+HCOO]- 223.10881 165.0
[M+CH3COO]- 237.12446 190.1
[M+Na-2H]- 199.08528 143.8
[M]+ 178.11006 138.8
[M]- 178.11116 138.8
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