CID 107729

Prodan

Structural Information

Molecular Formula
C15H17NO
SMILES
CCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)C
InChI
InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3
InChIKey
MPPQGYCZBNURDG-UHFFFAOYSA-N
Compound name
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

171
References

6983
Patents

227.13101 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 151.3
[M+Na]+ 250.12023 158.7
[M-H]- 226.12373 157.3
[M+NH4]+ 245.16483 171.1
[M+K]+ 266.09417 156.3
[M+H-H2O]+ 210.12827 144.5
[M+HCOO]- 272.12921 174.7
[M+CH3COO]- 286.14486 199.5
[M+Na-2H]- 248.10568 156.5
[M]+ 227.13046 153.5
[M]- 227.13156 153.5
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