CID 2777201

28310-22-7

Structural Information

Molecular Formula
C9H15N2O
SMILES
C[N+](C)(C)CC1=C(C=CC=N1)O
InChI
InChI=1S/C9H14N2O/c1-11(2,3)7-8-9(12)5-4-6-10-8/h4-6H,7H2,1-3H3/p+1
InChIKey
IJSURQMMOAQXMM-UHFFFAOYSA-O
Compound name
(3-hydroxypyridin-2-yl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.11844 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.12572 133.3
[M+Na]+ 190.10766 141.2
[M-H]- 166.11116 136.3
[M+NH4]+ 185.15226 152.7
[M+K]+ 206.08160 134.3
[M+H-H2O]+ 150.11570 130.2
[M+HCOO]- 212.11664 155.9
[M+CH3COO]- 226.13229 175.5
[M+Na-2H]- 188.09311 144.5
[M]+ 167.11789 132.6
[M]- 167.11899 132.6
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

patents stripe