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]+ 182.128776 139.5
[M+Na]+ 204.110718 146.9
[M-H]- 180.114224 143.9
[M+NH4]+ 199.155323 158.5
[M+K]+ 220.084658 146.1
[M+H-H2O]+ 164.118760 132.0
[M+HCOO]- 226.119701 161.2
[M+CH3COO]- 240.135351 181.8
[M+Na-2H]- 202.096166 141.7
[M]+ 181.12095142 137.6
[M]- 181.12204858 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.