CID 104901

Acrylodan

Structural Information

Molecular Formula
C15H15NO
SMILES
CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)C=C
InChI
InChI=1S/C15H15NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h4-10H,1H2,2-3H3
InChIKey
HMWAJFNEGAJETK-UHFFFAOYSA-N
Compound name
1-[6-(dimethylamino)naphthalen-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

137
References

1116
Patents

225.11537 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 150.7
[M+Na]+ 248.10459 164.4
[M+NH4]+ 243.14919 159.8
[M+K]+ 264.07853 156.8
[M-H]- 224.10809 154.6
[M+Na-2H]- 246.09004 158.0
[M]+ 225.11482 153.8
[M]- 225.11592 153.8
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