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 171.2
[M+Na]+ 322.11802 178.1
[M-H]- 298.12152 176.2
[M+NH4]+ 317.16262 185.9
[M+K]+ 338.09196 176.0
[M+H-H2O]+ 282.12606 164.8
[M+HCOO]- 344.12700 185.8
[M+CH3COO]- 358.14265 205.9
[M+Na-2H]- 320.10347 176.7
[M]+ 299.12825 177.2
[M]- 299.12935 177.2
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.