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]+ 192.07675 139.2
[M+Na]+ 214.05869 151.7
[M+NH4]+ 209.10329 146.4
[M+K]+ 230.03263 148.8
[M-H]- 190.06219 142.7
[M+Na-2H]- 212.04414 146.1
[M]+ 191.06892 141.8
[M]- 191.07002 141.8
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.