CID 12953270

71704-67-1

Structural Information

Molecular Formula
C5H8N4O
SMILES
CC1=C(N=CN1)C(=O)NN
InChI
InChI=1S/C5H8N4O/c1-3-4(5(10)9-6)8-2-7-3/h2H,6H2,1H3,(H,7,8)(H,9,10)
InChIKey
WAWTVTOLBUMOFH-UHFFFAOYSA-N
Compound name
5-methyl-1H-imidazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

140.06981 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.077086 127.3
[M+Na]+ 163.059028 135.1
[M-H]- 139.062534 127.1
[M+NH4]+ 158.103633 146.6
[M+K]+ 179.032968 133.3
[M+H-H2O]+ 123.067070 120.2
[M+HCOO]- 185.068011 150.7
[M+CH3COO]- 199.083661 173.8
[M+Na-2H]- 161.044476 132.5
[M]+ 140.06926142 123.4
[M]- 140.07035858 123.4
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