CID 4619885

Beta-dimethylaminopropionyl 2-methyl coumaran hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1CC2=C(O1)C=CC(=C2)C(=O)CCN(C)C
InChI
InChI=1S/C14H19NO2/c1-10-8-12-9-11(4-5-14(12)17-10)13(16)6-7-15(2)3/h4-5,9-10H,6-8H2,1-3H3
InChIKey
VBYSKZXLNUGJFA-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 153.9
[M+Na]+ 256.13081 164.7
[M+NH4]+ 251.17541 162.3
[M+K]+ 272.10475 160.7
[M-H]- 232.13431 157.7
[M+Na-2H]- 254.11626 157.7
[M]+ 233.14104 156.4
[M]- 233.14214 156.4
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

No patent data available for this compound.