CID 21149818

94213-21-5

Structural Information

Molecular Formula
C9H20NO3
SMILES
CC[N+](CCO)(CCO)CC1CO1
InChI
InChI=1S/C9H20NO3/c1-2-10(3-5-11,4-6-12)7-9-8-13-9/h9,11-12H,2-8H2,1H3/q+1
InChIKey
MWXLFPQSCAAWQF-UHFFFAOYSA-N
Compound name
ethyl-bis(2-hydroxyethyl)-(oxiran-2-ylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

190.14432 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.151596 133.1
[M+Na]+ 213.133538 140.2
[M-H]- 189.137044 137.1
[M+NH4]+ 208.178143 146.1
[M+K]+ 229.107478 134.1
[M+H-H2O]+ 173.141580 130.2
[M+HCOO]- 235.142521 153.8
[M+CH3COO]- 249.158171 179.8
[M+Na-2H]- 211.118986 144.0
[M]+ 190.14377142 136.8
[M]- 190.14486858 136.8
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.