CID 28805527

2171898-13-6

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=CC(=CC(=C1)O)C2=NOC(=N2)CN
InChI
InChI=1S/C9H9N3O2/c10-5-8-11-9(12-14-8)6-2-1-3-7(13)4-6/h1-4,13H,5,10H2
InChIKey
UCQJZVZDPXKPFJ-UHFFFAOYSA-N
Compound name
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 138.4
[M+Na]+ 214.058688 147.7
[M-H]- 190.062194 142.2
[M+NH4]+ 209.103293 154.6
[M+K]+ 230.032628 145.5
[M+H-H2O]+ 174.066730 130.6
[M+HCOO]- 236.067671 161.0
[M+CH3COO]- 250.083321 151.6
[M+Na-2H]- 212.044136 144.8
[M]+ 191.06892142 138.2
[M]- 191.07001858 138.2
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.