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

31
Patents

139.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.5
[M+Na]+ 162.06377 135.5
[M-H]- 138.06727 130.2
[M+NH4]+ 157.10837 148.6
[M+K]+ 178.03771 136.3
[M+H-H2O]+ 122.07181 120.1
[M+HCOO]- 184.07275 152.2
[M+CH3COO]- 198.08840 176.7
[M+Na-2H]- 160.04922 133.3
[M]+ 139.07400 128.5
[M]- 139.07510 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