CID 3048210

As-12,203

Structural Information

Molecular Formula
C12H28N2O
SMILES
C[N+]1(CCCC1)CCOCC[N+](C)(C)C
InChI
InChI=1S/C12H28N2O/c1-13(2,3)9-11-15-12-10-14(4)7-5-6-8-14/h5-12H2,1-4H3/q+2
InChIKey
ISBDKWYSJPHPSI-UHFFFAOYSA-N
Compound name
trimethyl-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.22017 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.22745 149.4
[M+Na]+ 239.20939 154.0
[M-H]- 215.21289 152.5
[M+NH4]+ 234.25399 170.4
[M+K]+ 255.18333 142.9
[M+H-H2O]+ 199.21743 149.1
[M+HCOO]- 261.21837 169.5
[M+CH3COO]- 275.23402 181.4
[M+Na-2H]- 237.19484 159.6
[M]+ 216.21962 147.5
[M]- 216.22072 147.5
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.