CID 45791474

N-[1-(2-cyanoethyl)-3-methyl-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula
C9H12N4O
SMILES
CC1=NN(C(=C1)NC(=O)C)CCC#N
InChI
InChI=1S/C9H12N4O/c1-7-6-9(11-8(2)14)13(12-7)5-3-4-10/h6H,3,5H2,1-2H3,(H,11,14)
InChIKey
IETHPFHBAVOFJD-UHFFFAOYSA-N
Compound name
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1011 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 140.6
[M+Na]+ 215.09032 149.9
[M-H]- 191.09382 141.0
[M+NH4]+ 210.13492 157.0
[M+K]+ 231.06426 148.2
[M+H-H2O]+ 175.09836 126.0
[M+HCOO]- 237.09930 159.7
[M+CH3COO]- 251.11495 198.2
[M+Na-2H]- 213.07577 143.9
[M]+ 192.10055 136.6
[M]- 192.10165 136.6
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

No patent data available for this compound.