CID 225840

(1,3-dioxaindan-5-ylmethyl)(ethyl)amine

Structural Information

Molecular Formula
C10H13NO2
SMILES
CCNCC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C10H13NO2/c1-2-11-6-8-3-4-9-10(5-8)13-7-12-9/h3-5,11H,2,6-7H2,1H3
InChIKey
COTCHBBRLLCOKK-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

179.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 136.8
[M+Na]+ 202.083858 144.3
[M-H]- 178.087364 142.5
[M+NH4]+ 197.128463 156.9
[M+K]+ 218.057798 144.5
[M+H-H2O]+ 162.091900 131.4
[M+HCOO]- 224.092841 159.8
[M+CH3COO]- 238.108491 182.1
[M+Na-2H]- 200.069306 145.6
[M]+ 179.09409142 138.9
[M]- 179.09518858 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe