CID 61792416

2-(1-methyl-1h-pyrazol-4-yl)propanenitrile

Structural Information

Molecular Formula
C7H9N3
SMILES
CC(C#N)C1=CN(N=C1)C
InChI
InChI=1S/C7H9N3/c1-6(3-8)7-4-9-10(2)5-7/h4-6H,1-2H3
InChIKey
RMPQDHVVGPWFTQ-UHFFFAOYSA-N
Compound name
2-(1-methylpyrazol-4-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

135.07965 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 125.5
[M+Na]+ 158.06887 135.6
[M-H]- 134.07237 126.0
[M+NH4]+ 153.11347 144.2
[M+K]+ 174.04281 134.2
[M+H-H2O]+ 118.07691 111.5
[M+HCOO]- 180.07785 144.1
[M+CH3COO]- 194.09350 187.0
[M+Na-2H]- 156.05432 130.2
[M]+ 135.07910 120.8
[M]- 135.08020 120.8
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