CID 29222

18704-49-9

Structural Information

Molecular Formula
C10H11N2O
SMILES
CC1=NOC(=C1)C2=CC=[N+](C=C2)C
InChI
InChI=1S/C10H11N2O/c1-8-7-10(13-11-8)9-3-5-12(2)6-4-9/h3-7H,1-2H3/q+1
InChIKey
GMWRPQQGIXCYCQ-UHFFFAOYSA-N
Compound name
3-methyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.08714 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09442 135.9
[M+Na]+ 198.07636 146.2
[M-H]- 174.07986 141.7
[M+NH4]+ 193.12096 154.0
[M+K]+ 214.05030 139.3
[M+H-H2O]+ 158.08440 131.2
[M+HCOO]- 220.08534 158.9
[M+CH3COO]- 234.10099 173.0
[M+Na-2H]- 196.06181 145.3
[M]+ 175.08659 137.0
[M]- 175.08769 137.0
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.