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
10
Annotation Hits

25117
References

93459
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 118.1
[M+Na]+ 127.09676 130.2
[M+NH4]+ 122.14136 127.9
[M+K]+ 143.07070 126.0
[M-H]- 103.10026 119.9
[M+Na-2H]- 125.08221 124.1
[M]+ 104.10699 120.6
[M]- 104.10809 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe