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

40
Patents

121.063995 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07127 119.7
[M+Na]+ 144.05321 131.4
[M-H]- 120.05672 120.7
[M+NH4]+ 139.09782 139.3
[M+K]+ 160.02715 129.8
[M+H-H2O]+ 104.06126 106.3
[M+HCOO]- 166.06220 139.6
[M+CH3COO]- 180.07785 184.6
[M+Na-2H]- 142.03866 125.6
[M]+ 121.06345 115.7
[M]- 121.06454 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