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]+ 212.13936 146.5
[M+Na]+ 234.12130 153.4
[M-H]- 210.12480 150.8
[M+NH4]+ 229.16590 164.3
[M+K]+ 250.09524 152.8
[M+H-H2O]+ 194.12934 138.8
[M+HCOO]- 256.13028 168.1
[M+CH3COO]- 270.14593 186.9
[M+Na-2H]- 232.10675 148.4
[M]+ 211.13153 146.4
[M]- 211.13263 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.

Patent stripe

No patent data available for this compound.