CID 3073529

149775-60-0

Structural Information

Molecular Formula
C11H17N3O
SMILES
CC1=CC(=NN1C(C)N2CCCC2=O)C
InChI
InChI=1S/C11H17N3O/c1-8-7-9(2)14(12-8)10(3)13-6-4-5-11(13)15/h7,10H,4-6H2,1-3H3
InChIKey
VGEWLWMCRQNEAZ-UHFFFAOYSA-N
Compound name
1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 148.0
[M+Na]+ 230.12638 156.3
[M-H]- 206.12988 151.2
[M+NH4]+ 225.17098 166.7
[M+K]+ 246.10032 154.4
[M+H-H2O]+ 190.13442 140.0
[M+HCOO]- 252.13536 167.5
[M+CH3COO]- 266.15101 187.6
[M+Na-2H]- 228.11183 146.9
[M]+ 207.13661 147.6
[M]- 207.13771 147.6
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.