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]+ 279.170336 168.5
[M+Na]+ 301.152278 172.2
[M-H]- 277.155784 175.9
[M+NH4]+ 296.196883 183.2
[M+K]+ 317.126218 174.6
[M+H-H2O]+ 261.160320 160.3
[M+HCOO]- 323.161261 188.9
[M+CH3COO]- 337.176911 211.2
[M+Na-2H]- 299.137726 173.4
[M]+ 278.16251142 171.8
[M]- 278.16360858 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.