CID 86811702

Rac-[(2r,3s)-2-(1-methyl-1h-pyrazol-5-yl)oxolan-3-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C9H15N3O
SMILES
CN1C(=CC=N1)[C@H]2[C@@H](CCO2)CN
InChI
InChI=1S/C9H15N3O/c1-12-8(2-4-11-12)9-7(6-10)3-5-13-9/h2,4,7,9H,3,5-6,10H2,1H3/t7-,9+/m0/s1
InChIKey
RFHQJLOTULCXTL-IONNQARKSA-N
Compound name
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 139.5
[M+Na]+ 204.11072 146.9
[M-H]- 180.11422 143.9
[M+NH4]+ 199.15532 158.5
[M+K]+ 220.08466 146.1
[M+H-H2O]+ 164.11876 132.0
[M+HCOO]- 226.11970 161.2
[M+CH3COO]- 240.13535 181.8
[M+Na-2H]- 202.09617 141.7
[M]+ 181.12095 137.6
[M]- 181.12205 137.6
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.