CID 9626396

78972-81-3

Structural Information

Molecular Formula
C7H9N5
SMILES
CN(C)/C=N/C1=C(C=NN1)C#N
InChI
InChI=1S/C7H9N5/c1-12(2)5-9-7-6(3-8)4-10-11-7/h4-5H,1-2H3,(H,10,11)/b9-5+
InChIKey
KHSMXXWEJUQZOF-WEVVVXLNSA-N
Compound name
N'-(4-cyano-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

163.0858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.093076 133.7
[M+Na]+ 186.075018 142.5
[M-H]- 162.078524 135.2
[M+NH4]+ 181.119623 151.1
[M+K]+ 202.048958 141.6
[M+H-H2O]+ 146.083060 118.5
[M+HCOO]- 208.084001 155.3
[M+CH3COO]- 222.099651 196.7
[M+Na-2H]- 184.060466 139.2
[M]+ 163.08525142 128.4
[M]- 163.08634858 128.4
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

No patent data available for this compound.