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]+ 184.108046 139.4
[M+Na]+ 206.089988 147.0
[M-H]- 182.093494 139.8
[M+NH4]+ 201.134593 157.3
[M+K]+ 222.063928 144.8
[M+H-H2O]+ 166.098030 131.6
[M+HCOO]- 228.098971 157.8
[M+CH3COO]- 242.114621 174.5
[M+Na-2H]- 204.075436 140.9
[M]+ 183.10022142 136.5
[M]- 183.10131858 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.