CID 45662

3-ureidophenyltrimethylammonium iodide

Structural Information

Molecular Formula
C10H16N3O
SMILES
C[N+](C)(C)C1=CC=CC(=C1)NC(=O)N
InChI
InChI=1S/C10H15N3O/c1-13(2,3)9-6-4-5-8(7-9)12-10(11)14/h4-7H,1-3H3,(H2-,11,12,14)/p+1
InChIKey
MPPRDXYNJFDRBE-UHFFFAOYSA-O
Compound name
[3-(carbamoylamino)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.12933 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13661 139.0
[M+Na]+ 217.11855 145.1
[M-H]- 193.12205 144.1
[M+NH4]+ 212.16315 158.2
[M+K]+ 233.09249 138.6
[M+H-H2O]+ 177.12659 135.7
[M+HCOO]- 239.12753 164.6
[M+CH3COO]- 253.14318 186.6
[M+Na-2H]- 215.10400 148.4
[M]+ 194.12878 136.1
[M]- 194.12988 136.1
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.