CID 77042

3-(dimethylamino)-1-phenylpropan-1-one

Structural Information

Molecular Formula
C11H15NO
SMILES
CN(C)CCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H15NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
QMNXJNURJISYMS-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

580
Patents

177.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 139.6
[M+Na]+ 200.10459 145.5
[M-H]- 176.10809 144.4
[M+NH4]+ 195.14919 160.0
[M+K]+ 216.07853 144.8
[M+H-H2O]+ 160.11263 133.1
[M+HCOO]- 222.11357 164.5
[M+CH3COO]- 236.12922 187.7
[M+Na-2H]- 198.09004 145.1
[M]+ 177.11482 140.9
[M]- 177.11592 140.9
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