CID 468641

Chembl3091836

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CC(C)(C#N)NNC(=O)C1=CC=CO1
InChI
InChI=1S/C9H11N3O2/c1-9(2,6-10)12-11-8(13)7-4-3-5-14-7/h3-5,12H,1-2H3,(H,11,13)
InChIKey
CAWJAXDBKJJVPC-UHFFFAOYSA-N
Compound name
N'-(2-cyanopropan-2-yl)furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 146.8
[M+Na]+ 216.07435 154.5
[M-H]- 192.07785 150.1
[M+NH4]+ 211.11895 163.6
[M+K]+ 232.04829 154.1
[M+H-H2O]+ 176.08239 133.7
[M+HCOO]- 238.08333 167.1
[M+CH3COO]- 252.09898 197.9
[M+Na-2H]- 214.05980 152.7
[M]+ 193.08458 141.8
[M]- 193.08568 141.8
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

No patent data available for this compound.