CID 2044262

69812-97-1

Structural Information

Molecular Formula
C7H12N3O
SMILES
C[N+]1=CN(C=C1)C(=O)N(C)C
InChI
InChI=1S/C7H12N3O/c1-8(2)7(11)10-5-4-9(3)6-10/h4-6H,1-3H3/q+1
InChIKey
DPSNUDOHYRAANZ-UHFFFAOYSA-N
Compound name
N,N,3-trimethylimidazol-3-ium-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

154.09804 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10532 131.1
[M+Na]+ 177.08726 139.7
[M-H]- 153.09076 134.4
[M+NH4]+ 172.13186 151.7
[M+K]+ 193.06120 134.7
[M+H-H2O]+ 137.09530 126.8
[M+HCOO]- 199.09624 155.2
[M+CH3COO]- 213.11189 173.9
[M+Na-2H]- 175.07271 138.3
[M]+ 154.09749 131.4
[M]- 154.09859 131.4
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