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

25140
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 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

literature stripe

Patent stripe

patents stripe