CID 124252681

Rac-{1-[(3r,4s)-4-aminooxolan-3-yl]-1h-1,2,3-triazol-4-yl}methanol dihydrochloride

Structural Information

Molecular Formula
C7H12N4O2
SMILES
C1[C@H]([C@H](CO1)N2C=C(N=N2)CO)N
InChI
InChI=1S/C7H12N4O2/c8-6-3-13-4-7(6)11-1-5(2-12)9-10-11/h1,6-7,12H,2-4,8H2/t6-,7+/m1/s1
InChIKey
LSHPGEKVXGRIML-RQJHMYQMSA-N
Compound name
[1-[(3R,4S)-4-aminooxolan-3-yl]triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.09602 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.103296 137.7
[M+Na]+ 207.085238 145.4
[M-H]- 183.088744 139.7
[M+NH4]+ 202.129843 154.4
[M+K]+ 223.059178 144.6
[M+H-H2O]+ 167.093280 129.7
[M+HCOO]- 229.094221 157.5
[M+CH3COO]- 243.109871 178.4
[M+Na-2H]- 205.070686 140.4
[M]+ 184.09547142 135.3
[M]- 184.09656858 135.3
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.