CID 104820

Arsenocholine

Structural Information

Molecular Formula
C5H14AsO
SMILES
C[As+](C)(C)CCO
InChI
InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKey
ORLOBEXOFQEWFQ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl(trimethyl)arsanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

31
References

139
Patents

165.02606 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.03334 133.4
[M+Na]+ 188.01528 140.5
[M-H]- 164.01878 132.7
[M+NH4]+ 183.05988 155.6
[M+K]+ 203.98922 134.7
[M+H-H2O]+ 148.02332 132.5
[M+HCOO]- 210.02426 153.7
[M+CH3COO]- 224.03991 162.3
[M+Na-2H]- 186.00073 142.0
[M]+ 165.02551 132.7
[M]- 165.02661 132.7
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