CID 81179351

2770359-19-6

Structural Information

Molecular Formula
C8H12N4O
SMILES
C1CC(C1)(C(=O)NC2=CNN=C2)N
InChI
InChI=1S/C8H12N4O/c9-8(2-1-3-8)7(13)12-6-4-10-11-5-6/h4-5H,1-3,9H2,(H,10,11)(H,12,13)
InChIKey
DPTVTXZINIKXNW-UHFFFAOYSA-N
Compound name
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1011 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 140.9
[M+Na]+ 203.09032 145.0
[M-H]- 179.09382 143.0
[M+NH4]+ 198.13492 153.2
[M+K]+ 219.06426 145.9
[M+H-H2O]+ 163.09836 128.1
[M+HCOO]- 225.09930 161.2
[M+CH3COO]- 239.11495 182.9
[M+Na-2H]- 201.07577 145.5
[M]+ 180.10055 143.8
[M]- 180.10165 143.8
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

No patent data available for this compound.