CID 122236921

Rac-(3r,4r)-4-[(1-methyl-1h-pyrazol-4-yl)oxy]pyrrolidin-3-ol dihydrochloride

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CN1C=C(C=N1)O[C@@H]2CNC[C@H]2O
InChI
InChI=1S/C8H13N3O2/c1-11-5-6(2-10-11)13-8-4-9-3-7(8)12/h2,5,7-9,12H,3-4H2,1H3/t7-,8-/m1/s1
InChIKey
LYJGRZWWXARMTL-HTQZYQBOSA-N
Compound name
(3R,4R)-4-(1-methylpyrazol-4-yl)oxypyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 139.4
[M+Na]+ 206.08999 147.0
[M-H]- 182.09349 139.8
[M+NH4]+ 201.13459 157.3
[M+K]+ 222.06393 144.8
[M+H-H2O]+ 166.09803 131.6
[M+HCOO]- 228.09897 157.8
[M+CH3COO]- 242.11462 174.5
[M+Na-2H]- 204.07544 140.9
[M]+ 183.10022 136.5
[M]- 183.10132 136.5
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

No patent data available for this compound.