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

7
Patents

135.07965 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.086926 125.5
[M+Na]+ 158.068868 135.6
[M-H]- 134.072374 126.0
[M+NH4]+ 153.113473 144.2
[M+K]+ 174.042808 134.2
[M+H-H2O]+ 118.076910 111.5
[M+HCOO]- 180.077851 144.1
[M+CH3COO]- 194.093501 187.0
[M+Na-2H]- 156.054316 130.2
[M]+ 135.07910142 120.8
[M]- 135.08019858 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