CID 55281089

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

Structural Information

Molecular Formula
C4H7N3O2
SMILES
CC(C1=NN=C(O1)N)O
InChI
InChI=1S/C4H7N3O2/c1-2(8)3-6-7-4(5)9-3/h2,8H,1H3,(H2,5,7)
InChIKey
TUWHJLGOSFUSLI-UHFFFAOYSA-N
Compound name
1-(5-amino-1,3,4-oxadiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.05383 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.061106 123.5
[M+Na]+ 152.043048 132.3
[M-H]- 128.046554 124.0
[M+NH4]+ 147.087653 142.2
[M+K]+ 168.016988 132.6
[M+H-H2O]+ 112.051090 116.9
[M+HCOO]- 174.052031 145.2
[M+CH3COO]- 188.067681 169.3
[M+Na-2H]- 150.028496 129.6
[M]+ 129.05328142 122.8
[M]- 129.05437858 122.8
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.