CID 124512037

Rac-(2r,3s)-2-(1,5-dimethyl-1h-pyrazol-4-yl)oxolan-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC1=C(C=NN1C)[C@H]2[C@@H](CCO2)N
InChI
InChI=1S/C9H15N3O/c1-6-7(5-11-12(6)2)9-8(10)3-4-13-9/h5,8-9H,3-4,10H2,1-2H3/t8-,9+/m1/s1
InChIKey
IMEFHYRQGSBUQA-BDAKNGLRSA-N
Compound name
(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 139.8
[M+Na]+ 204.11072 148.2
[M-H]- 180.11422 144.6
[M+NH4]+ 199.15532 159.2
[M+K]+ 220.08466 147.3
[M+H-H2O]+ 164.11876 132.7
[M+HCOO]- 226.11970 161.5
[M+CH3COO]- 240.13535 182.9
[M+Na-2H]- 202.09617 141.3
[M]+ 181.12095 138.3
[M]- 181.12205 138.3
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.