CID 305

Choline

Structural Information

Molecular Formula
C5H14NO
SMILES
C[N+](C)(C)CCO
InChI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKey
OEYIOHPDSNJKLS-UHFFFAOYSA-N
Compound name
2-hydroxyethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

25186
References

112926
Patents

104.10754 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.11482 117.9
[M+Na]+ 127.09676 125.3
[M-H]- 103.10026 119.0
[M+NH4]+ 122.14136 141.1
[M+K]+ 143.07070 120.5
[M+H-H2O]+ 87.104800 117.2
[M+HCOO]- 149.10574 141.5
[M+CH3COO]- 163.12139 164.6
[M+Na-2H]- 125.08221 129.0
[M]+ 104.10699 117.3
[M]- 104.10809 117.3
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.