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 138.4
[M+Na]+ 214.05869 147.7
[M-H]- 190.06219 142.2
[M+NH4]+ 209.10329 154.6
[M+K]+ 230.03263 145.5
[M+H-H2O]+ 174.06673 130.6
[M+HCOO]- 236.06767 161.0
[M+CH3COO]- 250.08332 151.6
[M+Na-2H]- 212.04414 144.8
[M]+ 191.06892 138.2
[M]- 191.07002 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.