CID 118751

34941-69-0

Structural Information

Molecular Formula
C7H10NO
SMILES
C1=CC=[N+](C=C1)CCO
InChI
InChI=1S/C7H10NO/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/q+1
InChIKey
KGWNHXCBHOVEOM-UHFFFAOYSA-N
Compound name
2-pyridin-1-ium-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

413
Patents

124.07624 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.08352 123.9
[M+Na]+ 147.06546 131.8
[M-H]- 123.06896 125.3
[M+NH4]+ 142.11006 144.0
[M+K]+ 163.03940 124.6
[M+H-H2O]+ 107.07350 120.9
[M+HCOO]- 169.07444 146.4
[M+CH3COO]- 183.09009 160.7
[M+Na-2H]- 145.05091 135.1
[M]+ 124.07569 122.0
[M]- 124.07679 122.0
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