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]+ 194.128776 144.7
[M+Na]+ 216.110718 151.1
[M-H]- 192.114224 145.9
[M+NH4]+ 211.155323 162.6
[M+K]+ 232.084658 148.7
[M+H-H2O]+ 176.118760 136.3
[M+HCOO]- 238.119701 163.0
[M+CH3COO]- 252.135351 179.8
[M+Na-2H]- 214.096166 145.0
[M]+ 193.12095142 141.3
[M]- 193.12204858 141.3
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.