CID 165587077

Rac-(2r,3s)-2-(1h-1,2,4-triazol-5-yl)oxolan-3-amine

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1CO[C@@H]([C@@H]1N)C2=NC=NN2
InChI
InChI=1S/C6H10N4O/c7-4-1-2-11-5(4)6-8-3-9-10-6/h3-5H,1-2,7H2,(H,8,9,10)/t4-,5+/m1/s1
InChIKey
SSAIVGFISMYFKQ-UHNVWZDZSA-N
Compound name
(2S,3R)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.092736 130.2
[M+Na]+ 177.074678 137.5
[M-H]- 153.078184 131.9
[M+NH4]+ 172.119283 147.9
[M+K]+ 193.048618 136.6
[M+H-H2O]+ 137.082720 122.1
[M+HCOO]- 199.083661 150.1
[M+CH3COO]- 213.099311 142.7
[M+Na-2H]- 175.060126 134.0
[M]+ 154.08491142 125.6
[M]- 154.08600858 125.6
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.