CID 8820

Cyanoacetohydrazide

Structural Information

Molecular Formula
C3H5N3O
SMILES
C(C#N)C(=O)NN
InChI
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7)
InChIKey
HPHBOJANXDKUQD-UHFFFAOYSA-N
Compound name
2-cyanoacetohydrazide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

81
References

967
Patents

99.04326 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 119.2
[M+Na]+ 122.03248 127.5
[M-H]- 98.035984 119.8
[M+NH4]+ 117.07708 139.2
[M+K]+ 138.00642 128.1
[M+H-H2O]+ 82.040520 107.7
[M+HCOO]- 144.04146 140.9
[M+CH3COO]- 158.05711 183.1
[M+Na-2H]- 120.01793 125.4
[M]+ 99.042711 111.9
[M]- 99.043809 111.9
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