CID 411571

1-allyl-3-carbamoylpyridinium bromide

Structural Information

Molecular Formula
C9H11N2O
SMILES
C=CC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C9H10N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h2-4,6-7H,1,5H2,(H-,10,12)/p+1
InChIKey
DDGGFHPNJTXXNE-UHFFFAOYSA-O
Compound name
1-prop-2-enylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

163.08714 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.094416 134.1
[M+Na]+ 186.076358 141.9
[M-H]- 162.079864 136.4
[M+NH4]+ 181.120963 152.7
[M+K]+ 202.050298 133.7
[M+H-H2O]+ 146.084400 130.3
[M+HCOO]- 208.085341 157.1
[M+CH3COO]- 222.100991 173.2
[M+Na-2H]- 184.061806 142.0
[M]+ 163.08659142 131.3
[M]- 163.08768858 131.3
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