CID 124709636

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

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1[C@H]([C@H](CO1)N2C=CN=N2)N
InChI
InChI=1S/C6H10N4O/c7-5-3-11-4-6(5)10-2-1-8-9-10/h1-2,5-6H,3-4,7H2/t5-,6+/m1/s1
InChIKey
MXZGJMZVGJMDBZ-RITPCOANSA-N
Compound name
(3S,4R)-4-(triazol-1-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 129.6
[M+Na]+ 177.07468 137.4
[M-H]- 153.07818 132.7
[M+NH4]+ 172.11928 148.0
[M+K]+ 193.04862 137.3
[M+H-H2O]+ 137.08272 121.3
[M+HCOO]- 199.08366 151.0
[M+CH3COO]- 213.09931 142.8
[M+Na-2H]- 175.06013 133.9
[M]+ 154.08491 126.8
[M]- 154.08601 126.8
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.