CID 468618

Schembl2993604

Structural Information

Molecular Formula
C10H12N4O
SMILES
CC(C)(C#N)NNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C10H12N4O/c1-10(2,7-11)14-13-9(15)8-3-5-12-6-4-8/h3-6,14H,1-2H3,(H,13,15)
InChIKey
PFVHAKVFTBETFZ-UHFFFAOYSA-N
Compound name
N'-(2-cyanopropan-2-yl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

204.1011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 150.2
[M+Na]+ 227.09032 157.3
[M-H]- 203.09382 151.5
[M+NH4]+ 222.13492 165.0
[M+K]+ 243.06426 155.5
[M+H-H2O]+ 187.09836 136.3
[M+HCOO]- 249.09930 169.0
[M+CH3COO]- 263.11495 201.1
[M+Na-2H]- 225.07577 156.7
[M]+ 204.10055 143.5
[M]- 204.10165 143.5
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

No patent data available for this compound.