CID 12211891

1,5-dimethyl-1h-pyrazole-3-carbonitrile

Structural Information

Molecular Formula
C6H7N3
SMILES
CC1=CC(=NN1C)C#N
InChI
InChI=1S/C6H7N3/c1-5-3-6(4-7)8-9(5)2/h3H,1-2H3
InChIKey
QJTFMFKUXJQSAO-UHFFFAOYSA-N
Compound name
1,5-dimethylpyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

121.063995 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.071271 119.7
[M+Na]+ 144.053213 131.4
[M-H]- 120.056719 120.7
[M+NH4]+ 139.097818 139.3
[M+K]+ 160.027153 129.8
[M+H-H2O]+ 104.061255 106.3
[M+HCOO]- 166.062196 139.6
[M+CH3COO]- 180.077846 184.6
[M+Na-2H]- 142.038661 125.6
[M]+ 121.06344642 115.7
[M]- 121.06454358 115.7
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