CID 124252618

Rac-(3r,4r)-4-[(1-ethyl-1h-pyrazol-4-yl)oxy]oxolan-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CCN1C=C(C=N1)O[C@@H]2COC[C@@H]2N
InChI
InChI=1S/C9H15N3O2/c1-2-12-4-7(3-11-12)14-9-6-13-5-8(9)10/h3-4,8-9H,2,5-6,10H2,1H3/t8-,9+/m0/s1
InChIKey
PCRUUJHUFNVLOX-DTWKUNHWSA-N
Compound name
(3S,4S)-4-(1-ethylpyrazol-4-yl)oxyoxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 142.9
[M+Na]+ 220.10564 152.1
[M+NH4]+ 215.15024 150.0
[M+K]+ 236.07958 151.7
[M-H]- 196.10914 145.7
[M+Na-2H]- 218.09109 146.9
[M]+ 197.11587 144.6
[M]- 197.11697 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.