CID 3064428

102128-81-4

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CN(C)C(=O)CCN(C)CC1COC2=CC=CC=C2O1
InChI
InChI=1S/C15H22N2O3/c1-16(2)15(18)8-9-17(3)10-12-11-19-13-6-4-5-7-14(13)20-12/h4-7,12H,8-11H2,1-3H3
InChIKey
VMDUTZVHMLGVKT-UHFFFAOYSA-N
Compound name
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 168.5
[M+Na]+ 301.15228 172.2
[M-H]- 277.15578 175.9
[M+NH4]+ 296.19688 183.2
[M+K]+ 317.12622 174.6
[M+H-H2O]+ 261.16032 160.3
[M+HCOO]- 323.16126 188.9
[M+CH3COO]- 337.17691 211.2
[M+Na-2H]- 299.13773 173.4
[M]+ 278.16251 171.8
[M]- 278.16361 171.8
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.