CID 18132

2990-37-6

Structural Information

Molecular Formula
C15H24NO3
SMILES
CC[N+](C)(CC)CCOC1=CC=CC2=C1OCCO2
InChI
InChI=1S/C15H24NO3/c1-4-16(3,5-2)9-10-17-13-7-6-8-14-15(13)19-12-11-18-14/h6-8H,4-5,9-12H2,1-3H3/q+1
InChIKey
ISIIXDZYZYTAGU-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17563 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18291 161.6
[M+Na]+ 289.16485 166.5
[M-H]- 265.16835 168.0
[M+NH4]+ 284.20945 176.9
[M+K]+ 305.13879 161.8
[M+H-H2O]+ 249.17289 157.4
[M+HCOO]- 311.17383 180.4
[M+CH3COO]- 325.18948 196.2
[M+Na-2H]- 287.15030 172.9
[M]+ 266.17508 164.4
[M]- 266.17618 164.4
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.