CID 89808237

1-methyl-5-((methylamino)methyl)-1h-pyrazole-3-carbonitrile

Structural Information

Molecular Formula
C7H10N4
SMILES
CNCC1=CC(=NN1C)C#N
InChI
InChI=1S/C7H10N4/c1-9-5-7-3-6(4-8)10-11(7)2/h3,9H,5H2,1-2H3
InChIKey
UXBDFTGMHRINIS-UHFFFAOYSA-N
Compound name
1-methyl-5-(methylaminomethyl)pyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

150.09055 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09783 128.6
[M+Na]+ 173.07977 138.8
[M-H]- 149.08327 129.2
[M+NH4]+ 168.12437 146.6
[M+K]+ 189.05371 137.1
[M+H-H2O]+ 133.08781 114.4
[M+HCOO]- 195.08875 148.9
[M+CH3COO]- 209.10440 191.6
[M+Na-2H]- 171.06522 134.1
[M]+ 150.09000 124.0
[M]- 150.09110 124.0
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

patents stripe