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 155.0
[M+Na]+ 256.13081 161.7
[M-H]- 232.13431 161.3
[M+NH4]+ 251.17541 175.0
[M+K]+ 272.10475 161.2
[M+H-H2O]+ 216.13885 148.9
[M+HCOO]- 278.13979 177.2
[M+CH3COO]- 292.15544 198.8
[M+Na-2H]- 254.11626 158.0
[M]+ 233.14104 158.1
[M]- 233.14214 158.1
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.