CID 46318284

1-(pyrrolidin-3-yl)-1h-pyrazole

Structural Information

Molecular Formula
C7H11N3
SMILES
C1CNCC1N2C=CC=N2
InChI
InChI=1S/C7H11N3/c1-3-9-10(5-1)7-2-4-8-6-7/h1,3,5,7-8H,2,4,6H2
InChIKey
ZUZKWDPTWJFIPQ-UHFFFAOYSA-N
Compound name
1-pyrrolidin-3-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

137.09529 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 128.5
[M+Na]+ 160.084508 135.4
[M-H]- 136.088014 129.6
[M+NH4]+ 155.129113 148.5
[M+K]+ 176.058448 133.5
[M+H-H2O]+ 120.092550 120.1
[M+HCOO]- 182.093491 148.4
[M+CH3COO]- 196.109141 141.1
[M+Na-2H]- 158.069956 132.2
[M]+ 137.09474142 123.5
[M]- 137.09583858 123.5
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

patents stripe