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

24
Patents

150.09055 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.097826 128.6
[M+Na]+ 173.079768 138.8
[M-H]- 149.083274 129.2
[M+NH4]+ 168.124373 146.6
[M+K]+ 189.053708 137.1
[M+H-H2O]+ 133.087810 114.4
[M+HCOO]- 195.088751 148.9
[M+CH3COO]- 209.104401 191.6
[M+Na-2H]- 171.065216 134.1
[M]+ 150.09000142 124.0
[M]- 150.09109858 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