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]+ 205.108376 150.2
[M+Na]+ 227.090318 157.3
[M-H]- 203.093824 151.5
[M+NH4]+ 222.134923 165.0
[M+K]+ 243.064258 155.5
[M+H-H2O]+ 187.098360 136.3
[M+HCOO]- 249.099301 169.0
[M+CH3COO]- 263.114951 201.1
[M+Na-2H]- 225.075766 156.7
[M]+ 204.10055142 143.5
[M]- 204.10164858 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

literature stripe

Patent stripe

patents stripe