CID 18376592

N-(1h-imidazol-2-yl)formamide

Structural Information

Molecular Formula
C4H5N3O
SMILES
C1=CN=C(N1)NC=O
InChI
InChI=1S/C4H5N3O/c8-3-7-4-5-1-2-6-4/h1-3H,(H2,5,6,7,8)
InChIKey
SMXZQOMVCREYNY-UHFFFAOYSA-N
Compound name
N-(1H-imidazol-2-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

351
Patents

111.04326 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.050536 118.0
[M+Na]+ 134.032478 126.4
[M-H]- 110.035984 117.8
[M+NH4]+ 129.077083 138.7
[M+K]+ 150.006418 124.8
[M+H-H2O]+ 94.040520 111.1
[M+HCOO]- 156.041461 142.2
[M+CH3COO]- 170.057111 165.0
[M+Na-2H]- 132.017926 126.3
[M]+ 111.04271142 115.8
[M]- 111.04380858 115.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe