CID 48837

2-(1-isopropylaminoethyl)-1,4-benzodioxane

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)NC(C)C1COC2=CC=CC=C2O1
InChI
InChI=1S/C13H19NO2/c1-9(2)14-10(3)13-8-15-11-6-4-5-7-12(11)16-13/h4-7,9-10,13-14H,8H2,1-3H3
InChIKey
PCUKAVUOEYDTFC-UHFFFAOYSA-N
Compound name
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.5
[M+Na]+ 244.13081 157.2
[M-H]- 220.13431 157.5
[M+NH4]+ 239.17541 168.8
[M+K]+ 260.10475 157.8
[M+H-H2O]+ 204.13885 145.7
[M+HCOO]- 266.13979 170.2
[M+CH3COO]- 280.15544 193.5
[M+Na-2H]- 242.11626 158.5
[M]+ 221.14104 152.2
[M]- 221.14214 152.2
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.