CID 3053352

N,n-dimethyl-1h-imidazole-1-carboxamide

Structural Information

Molecular Formula
C6H9N3O
SMILES
CN(C)C(=O)N1C=CN=C1
InChI
InChI=1S/C6H9N3O/c1-8(2)6(10)9-4-3-7-5-9/h3-5H,1-2H3
InChIKey
DQLTWJREEUSJEQ-UHFFFAOYSA-N
Compound name
N,N-dimethylimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

139.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.5
[M+Na]+ 162.063768 135.5
[M-H]- 138.067274 130.2
[M+NH4]+ 157.108373 148.6
[M+K]+ 178.037708 136.3
[M+H-H2O]+ 122.071810 120.1
[M+HCOO]- 184.072751 152.2
[M+CH3COO]- 198.088401 176.7
[M+Na-2H]- 160.049216 133.3
[M]+ 139.07400142 128.5
[M]- 139.07509858 128.5
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