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]+ 164.09308 133.7
[M+Na]+ 186.07502 142.5
[M-H]- 162.07852 135.2
[M+NH4]+ 181.11962 151.1
[M+K]+ 202.04896 141.6
[M+H-H2O]+ 146.08306 118.5
[M+HCOO]- 208.08400 155.3
[M+CH3COO]- 222.09965 196.7
[M+Na-2H]- 184.06047 139.2
[M]+ 163.08525 128.4
[M]- 163.08635 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.