CID 55288983

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

Structural Information

Molecular Formula
C3H5N3O2
SMILES
C(C1=NN=C(O1)N)O
InChI
InChI=1S/C3H5N3O2/c4-3-6-5-2(1-7)8-3/h7H,1H2,(H2,4,6)
InChIKey
BGVUCXJFOFYACV-UHFFFAOYSA-N
Compound name
(5-amino-1,3,4-oxadiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.03818 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.045456 118.0
[M+Na]+ 138.027398 127.5
[M-H]- 114.030904 118.5
[M+NH4]+ 133.072003 137.4
[M+K]+ 154.001338 127.6
[M+H-H2O]+ 98.035440 111.5
[M+HCOO]- 160.036381 141.0
[M+CH3COO]- 174.052031 165.4
[M+Na-2H]- 136.012846 125.9
[M]+ 115.03763142 117.6
[M]- 115.03872858 117.6
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.