CID 407877

3-(methylamino)-1-phenylpropan-1-one

Structural Information

Molecular Formula
C10H13NO
SMILES
CNCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H13NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey
CAIKBWLFBLRPJU-UHFFFAOYSA-N
Compound name
3-(methylamino)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

112
Patents

163.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 135.1
[M+Na]+ 186.08894 141.2
[M-H]- 162.09244 138.5
[M+NH4]+ 181.13354 155.3
[M+K]+ 202.06288 139.4
[M+H-H2O]+ 146.09698 128.9
[M+HCOO]- 208.09792 159.8
[M+CH3COO]- 222.11357 181.1
[M+Na-2H]- 184.07439 141.8
[M]+ 163.09917 134.7
[M]- 163.10027 134.7
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