CID 162491

O-(2-hydroxyethyl)choline

Structural Information

Molecular Formula
C7H18NO2
SMILES
C[N+](C)(C)CCOCCO
InChI
InChI=1S/C7H18NO2/c1-8(2,3)4-6-10-7-5-9/h9H,4-7H2,1-3H3/q+1
InChIKey
HPPNVAQPNWYKEE-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

53
Patents

148.13376 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.14104 130.8
[M+Na]+ 171.12298 137.3
[M-H]- 147.12648 131.5
[M+NH4]+ 166.16758 152.2
[M+K]+ 187.09692 132.4
[M+H-H2O]+ 131.13102 129.3
[M+HCOO]- 193.13196 153.9
[M+CH3COO]- 207.14761 172.6
[M+Na-2H]- 169.10843 140.8
[M]+ 148.13321 132.4
[M]- 148.13431 132.4
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

patents stripe