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]+ 185.10330 137.7
[M+Na]+ 207.08524 145.4
[M-H]- 183.08874 139.7
[M+NH4]+ 202.12984 154.4
[M+K]+ 223.05918 144.6
[M+H-H2O]+ 167.09328 129.7
[M+HCOO]- 229.09422 157.5
[M+CH3COO]- 243.10987 178.4
[M+Na-2H]- 205.07069 140.4
[M]+ 184.09547 135.3
[M]- 184.09657 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.