CID 1504097

4-methyl-1h-pyrazole-3-carbonitrile

Structural Information

Molecular Formula
C5H5N3
SMILES
CC1=C(NN=C1)C#N
InChI
InChI=1S/C5H5N3/c1-4-3-7-8-5(4)2-6/h3H,1H3,(H,7,8)
InChIKey
WFPRLXZIHCHHKP-UHFFFAOYSA-N
Compound name
4-methyl-1H-pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

107.04835 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.05563 121.0
[M+Na]+ 130.03757 132.3
[M+NH4]+ 125.08217 125.6
[M+K]+ 146.01151 125.5
[M-H]- 106.04107 114.0
[M+Na-2H]- 128.02302 124.5
[M]+ 107.04780 119.6
[M]- 107.04890 119.6
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