CID 17962

2906-82-3

Structural Information

Molecular Formula
C13H20NO3
SMILES
C[N+](C)(C)CCOC1=CC=CC2=C1OCCO2
InChI
InChI=1S/C13H20NO3/c1-14(2,3)7-8-15-11-5-4-6-12-13(11)17-10-9-16-12/h4-6H,7-10H2,1-3H3/q+1
InChIKey
BJJCKAUOWLFUME-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14432 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15160 151.8
[M+Na]+ 261.13354 157.6
[M-H]- 237.13704 158.6
[M+NH4]+ 256.17814 168.3
[M+K]+ 277.10748 153.4
[M+H-H2O]+ 221.14158 148.0
[M+HCOO]- 283.14252 171.3
[M+CH3COO]- 297.15817 190.1
[M+Na-2H]- 259.11899 164.2
[M]+ 238.14377 153.9
[M]- 238.14487 153.9
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.