CID 122164222

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

Structural Information

Molecular Formula
C11H17N3O
SMILES
C1CO[C@H]([C@@H]1N)C2=CN(N=C2)CC3CC3
InChI
InChI=1S/C11H17N3O/c12-10-3-4-15-11(10)9-5-13-14(7-9)6-8-1-2-8/h5,7-8,10-11H,1-4,6,12H2/t10-,11+/m1/s1
InChIKey
DGHIZVKGQDKHJR-MNOVXSKESA-N
Compound name
(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 145.8
[M+Na]+ 230.12638 154.5
[M-H]- 206.12988 153.8
[M+NH4]+ 225.17098 158.9
[M+K]+ 246.10032 151.6
[M+H-H2O]+ 190.13442 138.1
[M+HCOO]- 252.13536 167.1
[M+CH3COO]- 266.15101 158.1
[M+Na-2H]- 228.11183 147.5
[M]+ 207.13661 146.0
[M]- 207.13771 146.0
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.