CID 26432

Usaf el-51

Structural Information

Molecular Formula
C15H22ClNO3
SMILES
CCCCNCC1COC2=C(C=CC(=C2O1)OCC)Cl
InChI
InChI=1S/C15H22ClNO3/c1-3-5-8-17-9-11-10-19-14-12(16)6-7-13(18-4-2)15(14)20-11/h6-7,11,17H,3-5,8-10H2,1-2H3
InChIKey
ONMSOGAFLQPURZ-UHFFFAOYSA-N
Compound name
N-[(5-chloro-8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.1288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13608 169.0
[M+Na]+ 322.11802 181.9
[M+NH4]+ 317.16262 177.2
[M+K]+ 338.09196 174.4
[M-H]- 298.12152 174.5
[M+Na-2H]- 320.10347 172.6
[M]+ 299.12825 172.7
[M]- 299.12935 172.7
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.