CID 164236

127056-80-8

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC1CC(N(C1=O)C2=NNC(=C2)C(C)(C)C)O
InChI
InChI=1S/C12H19N3O2/c1-7-5-10(16)15(11(7)17)9-6-8(13-14-9)12(2,3)4/h6-7,10,16H,5H2,1-4H3,(H,13,14)
InChIKey
RCHLYUYSYUIXBY-UHFFFAOYSA-N
Compound name
1-(5-tert-butyl-1H-pyrazol-3-yl)-5-hydroxy-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 156.2
[M+Na]+ 260.13694 165.0
[M+NH4]+ 255.18154 161.5
[M+K]+ 276.11088 165.4
[M-H]- 236.14044 154.9
[M+Na-2H]- 258.12239 158.4
[M]+ 237.14717 156.7
[M]- 237.14827 156.7
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.