CID 130118811

3-amino-1-(1h-pyrazol-3-yl)pyrrolidin-2-one dihydrochloride

Structural Information

Molecular Formula
C7H10N4O
SMILES
C1CN(C(=O)C1N)C2=CC=NN2
InChI
InChI=1S/C7H10N4O/c8-5-2-4-11(7(5)12)6-1-3-9-10-6/h1,3,5H,2,4,8H2,(H,9,10)
InChIKey
WOYRAVCVGBGSFO-UHFFFAOYSA-N
Compound name
3-amino-1-(1H-pyrazol-5-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.08546 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09274 134.2
[M+Na]+ 189.07468 142.3
[M-H]- 165.07818 135.7
[M+NH4]+ 184.11928 152.9
[M+K]+ 205.04862 139.6
[M+H-H2O]+ 149.08272 126.1
[M+HCOO]- 211.08366 154.9
[M+CH3COO]- 225.09931 146.6
[M+Na-2H]- 187.06013 136.2
[M]+ 166.08491 129.1
[M]- 166.08601 129.1
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.