CID 55288722

2-(5-amino-1,3,4-oxadiazol-2-yl)propan-2-ol

Structural Information

Molecular Formula
C5H9N3O2
SMILES
CC(C)(C1=NN=C(O1)N)O
InChI
InChI=1S/C5H9N3O2/c1-5(2,9)3-7-8-4(6)10-3/h9H,1-2H3,(H2,6,8)
InChIKey
CQUJLNJBFSDENS-UHFFFAOYSA-N
Compound name
2-(5-amino-1,3,4-oxadiazol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.06947 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.076746 128.1
[M+Na]+ 166.058688 137.1
[M-H]- 142.062194 128.6
[M+NH4]+ 161.103293 146.4
[M+K]+ 182.032628 137.1
[M+H-H2O]+ 126.066730 122.0
[M+HCOO]- 188.067671 148.8
[M+CH3COO]- 202.083321 171.8
[M+Na-2H]- 164.044136 135.6
[M]+ 143.06892142 127.8
[M]- 143.07001858 127.8
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

patents stripe