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]+ 181.108376 139.8
[M+Na]+ 203.090318 148.8
[M-H]- 179.093824 144.6
[M+NH4]+ 198.134923 153.3
[M+K]+ 219.064258 144.9
[M+H-H2O]+ 163.098360 131.9
[M+HCOO]- 225.099301 164.1
[M+CH3COO]- 239.114951 187.0
[M+Na-2H]- 201.075766 144.3
[M]+ 180.10055142 140.2
[M]- 180.10164858 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.