CID 117923

27079-75-0

Structural Information

Molecular Formula
C10H10NO
SMILES
C[N+]1=CC=C(C=C1)C2=COC=C2
InChI
InChI=1S/C10H10NO/c1-11-5-2-9(3-6-11)10-4-7-12-8-10/h2-8H,1H3/q+1
InChIKey
WGYVKAVGJRWRAE-UHFFFAOYSA-N
Compound name
4-(furan-3-yl)-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07623 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08351 132.0
[M+Na]+ 183.06545 141.2
[M-H]- 159.06895 138.8
[M+NH4]+ 178.11005 151.7
[M+K]+ 199.03939 134.6
[M+H-H2O]+ 143.07349 128.1
[M+HCOO]- 205.07443 156.2
[M+CH3COO]- 219.09008 169.3
[M+Na-2H]- 181.05090 142.0
[M]+ 160.07568 132.2
[M]- 160.07678 132.2
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.