CID 205825

18704-51-3

Structural Information

Molecular Formula
C12H15N2O2
SMILES
CC1=NOC(=C1)C2=CC=[N+](C=C2)CCOC
InChI
InChI=1S/C12H15N2O2/c1-10-9-12(16-13-10)11-3-5-14(6-4-11)7-8-15-2/h3-6,9H,7-8H2,1-2H3/q+1
InChIKey
SPWWVFQUJXYCKK-UHFFFAOYSA-N
Compound name
5-[1-(2-methoxyethyl)pyridin-1-ium-4-yl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11336 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.12064 149.0
[M+Na]+ 242.10258 158.1
[M-H]- 218.10608 154.4
[M+NH4]+ 237.14718 165.2
[M+K]+ 258.07652 151.2
[M+H-H2O]+ 202.11062 143.6
[M+HCOO]- 264.11156 171.4
[M+CH3COO]- 278.12721 181.1
[M+Na-2H]- 240.08803 157.2
[M]+ 219.11281 152.0
[M]- 219.11391 152.0
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.