CID 45489935

3-(1h-pyrazol-5-yl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1CNCC1(C2=CC=NN2)O
InChI
InChI=1S/C7H11N3O/c11-7(2-4-8-5-7)6-1-3-9-10-6/h1,3,8,11H,2,4-5H2,(H,9,10)
InChIKey
BHJLUJCXXFFAAT-UHFFFAOYSA-N
Compound name
3-(1H-pyrazol-5-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 132.3
[M+Na]+ 176.07943 139.2
[M-H]- 152.08293 131.1
[M+NH4]+ 171.12403 152.2
[M+K]+ 192.05337 136.1
[M+H-H2O]+ 136.08747 125.0
[M+HCOO]- 198.08841 149.5
[M+CH3COO]- 212.10406 143.8
[M+Na-2H]- 174.06488 136.3
[M]+ 153.08966 125.4
[M]- 153.09076 125.4
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.