CID 3064421

102128-74-5

Structural Information

Molecular Formula
C12H16N2O3
SMILES
C1C(OC2=CC=CC=C2O1)CNCCC(=O)N
InChI
InChI=1S/C12H16N2O3/c13-12(15)5-6-14-7-9-8-16-10-3-1-2-4-11(10)17-9/h1-4,9,14H,5-8H2,(H2,13,15)
InChIKey
HHAWRZOCPUVVNZ-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 154.0
[M+Na]+ 259.10531 163.9
[M+NH4]+ 254.14991 161.3
[M+K]+ 275.07925 159.0
[M-H]- 235.10881 159.0
[M+Na-2H]- 257.09076 157.3
[M]+ 236.11554 156.5
[M]- 236.11664 156.5
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.