CID 75356274

4-(1,5-dimethyl-1h-pyrazol-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC1=C(C=NN1C)C2CC(=O)NC2
InChI
InChI=1S/C9H13N3O/c1-6-8(5-11-12(6)2)7-3-9(13)10-4-7/h5,7H,3-4H2,1-2H3,(H,10,13)
InChIKey
YOMGJTQENNBASM-UHFFFAOYSA-N
Compound name
4-(1,5-dimethylpyrazol-4-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.7
[M+Na]+ 202.09509 148.8
[M-H]- 178.09859 141.8
[M+NH4]+ 197.13969 158.9
[M+K]+ 218.06903 146.0
[M+H-H2O]+ 162.10313 132.2
[M+HCOO]- 224.10407 159.4
[M+CH3COO]- 238.11972 178.2
[M+Na-2H]- 200.08054 140.4
[M]+ 179.10532 137.4
[M]- 179.10642 137.4
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.