CID 174114

78182-00-0

Structural Information

Molecular Formula
C7H18NO2
SMILES
C[N+](C)(CCCO)CCO
InChI
InChI=1S/C7H18NO2/c1-8(2,5-7-10)4-3-6-9/h9-10H,3-7H2,1-2H3/q+1
InChIKey
HZSWYNMKGGUNNS-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-(3-hydroxypropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

148.13376 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.141036 131.3
[M+Na]+ 171.122978 137.3
[M-H]- 147.126484 130.5
[M+NH4]+ 166.167583 151.9
[M+K]+ 187.096918 131.4
[M+H-H2O]+ 131.131020 130.0
[M+HCOO]- 193.131961 152.8
[M+CH3COO]- 207.147611 169.8
[M+Na-2H]- 169.108426 140.7
[M]+ 148.13321142 130.9
[M]- 148.13430858 130.9
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

patents stripe