CID 3040041

Choline, chloride, isonicotinate, n-oxide

Structural Information

Molecular Formula
C11H17ClN2O3
SMILES
C[N+](C)(C)C(COC(=O)C1=CCN(C=C1)[O-])Cl
InChI
InChI=1S/C11H17ClN2O3/c1-14(2,3)10(12)8-17-11(15)9-4-6-13(16)7-5-9/h4-6,10H,7-8H2,1-3H3
InChIKey
WWRGOHKAQHHMGM-UHFFFAOYSA-N
Compound name
[1-chloro-2-(1-oxido-2H-pyridine-4-carbonyl)oxyethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09277 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10005 155.4
[M+Na]+ 283.08199 161.3
[M-H]- 259.08549 157.2
[M+NH4]+ 278.12659 171.3
[M+K]+ 299.05593 154.7
[M+H-H2O]+ 243.09003 154.6
[M+HCOO]- 305.09097 170.8
[M+CH3COO]- 319.10662 189.0
[M+Na-2H]- 281.06744 161.5
[M]+ 260.09222 156.1
[M]- 260.09332 156.1
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.