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]+ 116.04546 118.0
[M+Na]+ 138.02740 127.5
[M-H]- 114.03090 118.5
[M+NH4]+ 133.07200 137.4
[M+K]+ 154.00134 127.6
[M+H-H2O]+ 98.035440 111.5
[M+HCOO]- 160.03638 141.0
[M+CH3COO]- 174.05203 165.4
[M+Na-2H]- 136.01285 125.9
[M]+ 115.03763 117.6
[M]- 115.03873 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.