CID 122164100

Rac-(2r,3s)-2-[1-(2-methoxyethyl)-1h-pyrazol-4-yl]oxolan-3-amine dihydrochloride

Structural Information

Molecular Formula
C10H17N3O2
SMILES
COCCN1C=C(C=N1)[C@H]2[C@@H](CCO2)N
InChI
InChI=1S/C10H17N3O2/c1-14-5-3-13-7-8(6-12-13)10-9(11)2-4-15-10/h6-7,9-10H,2-5,11H2,1H3/t9-,10+/m1/s1
InChIKey
BMUGRYHDPWZUMF-ZJUUUORDSA-N
Compound name
(2S,3R)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13208 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.139356 146.5
[M+Na]+ 234.121298 153.4
[M-H]- 210.124804 150.8
[M+NH4]+ 229.165903 164.3
[M+K]+ 250.095238 152.8
[M+H-H2O]+ 194.129340 138.8
[M+HCOO]- 256.130281 168.1
[M+CH3COO]- 270.145931 186.9
[M+Na-2H]- 232.106746 148.4
[M]+ 211.13153142 146.4
[M]- 211.13262858 146.4
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.

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No patent data available for this compound.