CID 28373958

2-(4-amino-1h-pyrazol-1-yl)-n-cyclopropylacetamide

Structural Information

Molecular Formula
C8H12N4O
SMILES
C1CC1NC(=O)CN2C=C(C=N2)N
InChI
InChI=1S/C8H12N4O/c9-6-3-10-12(4-6)5-8(13)11-7-1-2-7/h3-4,7H,1-2,5,9H2,(H,11,13)
InChIKey
PBCACWFJEWFBAF-UHFFFAOYSA-N
Compound name
2-(4-aminopyrazol-1-yl)-N-cyclopropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1011 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 139.8
[M+Na]+ 203.09032 148.8
[M-H]- 179.09382 144.6
[M+NH4]+ 198.13492 153.3
[M+K]+ 219.06426 144.9
[M+H-H2O]+ 163.09836 131.9
[M+HCOO]- 225.09930 164.1
[M+CH3COO]- 239.11495 187.0
[M+Na-2H]- 201.07577 144.3
[M]+ 180.10055 140.2
[M]- 180.10165 140.2
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.