CID 436061

Nsc382003

Structural Information

Molecular Formula
C13H17NO2
SMILES
CN(C)CC(=C)C(=O)C1=CC=CC=C1OC
InChI
InChI=1S/C13H17NO2/c1-10(9-14(2)3)13(15)11-7-5-6-8-12(11)16-4/h5-8H,1,9H2,2-4H3
InChIKey
FTJNEYTWACWMFI-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.0
[M+Na]+ 242.11515 156.0
[M-H]- 218.11865 154.9
[M+NH4]+ 237.15975 168.7
[M+K]+ 258.08909 155.3
[M+H-H2O]+ 202.12319 143.3
[M+HCOO]- 264.12413 173.7
[M+CH3COO]- 278.13978 196.9
[M+Na-2H]- 240.10060 152.5
[M]+ 219.12538 152.5
[M]- 219.12648 152.5
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

No patent data available for this compound.