CID 155822409

2551116-32-4

Structural Information

Molecular Formula
C11H11N5
SMILES
CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)NN
InChI
InChI=1S/C11H11N5/c1-16-11(14-13)9(7-12)10(15-16)8-5-3-2-4-6-8/h2-6,14H,13H2,1H3
InChIKey
USBKDSLELTWCJT-UHFFFAOYSA-N
Compound name
5-hydrazinyl-1-methyl-3-phenylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10144 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.108716 148.4
[M+Na]+ 236.090658 158.5
[M-H]- 212.094164 151.0
[M+NH4]+ 231.135263 163.3
[M+K]+ 252.064598 154.0
[M+H-H2O]+ 196.098700 132.9
[M+HCOO]- 258.099641 168.9
[M+CH3COO]- 272.115291 159.1
[M+Na-2H]- 234.076106 152.4
[M]+ 213.10089142 141.5
[M]- 213.10198858 141.5
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.