CID 12747510

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

Structural Information

Molecular Formula
C5H5N3
SMILES
CN1C=CC(=N1)C#N
InChI
InChI=1S/C5H5N3/c1-8-3-2-5(4-6)7-8/h2-3H,1H3
InChIKey
UOQLZFAAFSUXFE-UHFFFAOYSA-N
Compound name
1-methylpyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

107.04835 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.055626 116.1
[M+Na]+ 130.037568 127.3
[M-H]- 106.041074 116.8
[M+NH4]+ 125.082173 135.8
[M+K]+ 146.011508 125.9
[M+H-H2O]+ 90.045610 102.5
[M+HCOO]- 152.046551 136.2
[M+CH3COO]- 166.062201 180.9
[M+Na-2H]- 128.023016 123.0
[M]+ 107.04780142 111.4
[M]- 107.04889858 111.4
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