CID 71756741

1-(1-methyl-1h-pyrazol-4-yl)-2-(pyrrolidin-2-yl)ethan-1-one dihydrochloride

Structural Information

Molecular Formula
C10H15N3O
SMILES
CN1C=C(C=N1)C(=O)CC2CCCN2
InChI
InChI=1S/C10H15N3O/c1-13-7-8(6-12-13)10(14)5-9-3-2-4-11-9/h6-7,9,11H,2-5H2,1H3
InChIKey
HZGFZSALGDOUPI-UHFFFAOYSA-N
Compound name
1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.1215 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.12878 144.7
[M+Na]+ 216.11072 151.1
[M-H]- 192.11422 145.9
[M+NH4]+ 211.15532 162.6
[M+K]+ 232.08466 148.7
[M+H-H2O]+ 176.11876 136.3
[M+HCOO]- 238.11970 163.0
[M+CH3COO]- 252.13535 179.8
[M+Na-2H]- 214.09617 145.0
[M]+ 193.12095 141.3
[M]- 193.12205 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.