CID 3077852

1,3-bis(dimethylcarbamoyl)-imidazolium chloride

Structural Information

Molecular Formula
C9H15N4O2
SMILES
CN(C)C(=O)N1C=C[N+](=C1)C(=O)N(C)C
InChI
InChI=1S/C9H15N4O2/c1-10(2)8(14)12-5-6-13(7-12)9(15)11(3)4/h5-7H,1-4H3/q+1
InChIKey
RNWYCOQITSHEBG-UHFFFAOYSA-N
Compound name
1-N,1-N,3-N,3-N-tetramethylimidazol-1-ium-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

211.1195 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12678 145.7
[M+Na]+ 234.10872 152.7
[M-H]- 210.11222 150.4
[M+NH4]+ 229.15332 164.2
[M+K]+ 250.08266 148.9
[M+H-H2O]+ 194.11676 140.5
[M+HCOO]- 256.11770 170.1
[M+CH3COO]- 270.13335 188.7
[M+Na-2H]- 232.09417 150.7
[M]+ 211.11895 147.1
[M]- 211.12005 147.1
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

patents stripe