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]+ 182.128776 139.8
[M+Na]+ 204.110718 148.2
[M-H]- 180.114224 144.6
[M+NH4]+ 199.155323 159.2
[M+K]+ 220.084658 147.3
[M+H-H2O]+ 164.118760 132.7
[M+HCOO]- 226.119701 161.5
[M+CH3COO]- 240.135351 182.9
[M+Na-2H]- 202.096166 141.3
[M]+ 181.12095142 138.3
[M]- 181.12204858 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.