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]+ 193.108376 140.6
[M+Na]+ 215.090318 149.9
[M-H]- 191.093824 141.0
[M+NH4]+ 210.134923 157.0
[M+K]+ 231.064258 148.2
[M+H-H2O]+ 175.098360 126.0
[M+HCOO]- 237.099301 159.7
[M+CH3COO]- 251.114951 198.2
[M+Na-2H]- 213.075766 143.9
[M]+ 192.10055142 136.6
[M]- 192.10164858 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.