CID 54594860

1-[2-(3-amino-1h-pyrazol-1-yl)ethyl]imidazolidin-2-one

Structural Information

Molecular Formula
C8H13N5O
SMILES
C1CN(C(=O)N1)CCN2C=CC(=N2)N
InChI
InChI=1S/C8H13N5O/c9-7-1-3-13(11-7)6-5-12-4-2-10-8(12)14/h1,3H,2,4-6H2,(H2,9,11)(H,10,14)
InChIKey
ORNNIQKRBDTCQU-UHFFFAOYSA-N
Compound name
1-[2-(3-aminopyrazol-1-yl)ethyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.11201 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11929 142.8
[M+Na]+ 218.10123 150.4
[M-H]- 194.10473 142.8
[M+NH4]+ 213.14583 159.0
[M+K]+ 234.07517 147.4
[M+H-H2O]+ 178.10927 133.6
[M+HCOO]- 240.11021 161.9
[M+CH3COO]- 254.12586 181.4
[M+Na-2H]- 216.08668 144.1
[M]+ 195.11146 138.6
[M]- 195.11256 138.6
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.