CID 125424376

2307738-54-9

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC1=NOC(=N1)[C@H]2[C@H](CCO2)N
InChI
InChI=1S/C7H11N3O2/c1-4-9-7(12-10-4)6-5(8)2-3-11-6/h5-6H,2-3,8H2,1H3/t5-,6+/m0/s1
InChIKey
KOAHKRQYFCBNTI-NTSWFWBYSA-N
Compound name
(2R,3S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.08513 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 133.9
[M+Na]+ 192.07435 142.2
[M-H]- 168.07785 139.2
[M+NH4]+ 187.11895 152.1
[M+K]+ 208.04829 143.1
[M+H-H2O]+ 152.08239 127.2
[M+HCOO]- 214.08333 155.5
[M+CH3COO]- 228.09898 147.7
[M+Na-2H]- 190.05980 137.9
[M]+ 169.08458 133.4
[M]- 169.08568 133.4
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.