CID 2825855

1-(3,4-dihydro-2h-1-benzopyran-6-yl)-3-(dimethylamino)-1-propanone hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
CN(C)CCC(=O)C1=CC2=C(C=C1)OCCC2
InChI
InChI=1S/C14H19NO2/c1-15(2)8-7-13(16)11-5-6-14-12(10-11)4-3-9-17-14/h5-6,10H,3-4,7-9H2,1-2H3
InChIKey
YGIRMIQXWODLPW-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-6-yl)-3-(dimethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

233.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 153.8
[M+Na]+ 256.13081 158.7
[M-H]- 232.13431 159.4
[M+NH4]+ 251.17541 171.5
[M+K]+ 272.10475 158.4
[M+H-H2O]+ 216.13885 146.7
[M+HCOO]- 278.13979 173.9
[M+CH3COO]- 292.15544 198.1
[M+Na-2H]- 254.11626 159.1
[M]+ 233.14104 154.4
[M]- 233.14214 154.4
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

patents stripe