CID 3061071

78613-24-8

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC(C)(C1=NN=C(O1)N)OC2=CC=CC=C2
InChI
InChI=1S/C11H13N3O2/c1-11(2,9-13-14-10(12)15-9)16-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,14)
InChIKey
GADIEZUXDFCNRO-UHFFFAOYSA-N
Compound name
5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 147.4
[M+Na]+ 242.089988 155.7
[M-H]- 218.093494 152.2
[M+NH4]+ 237.134593 163.1
[M+K]+ 258.063928 154.5
[M+H-H2O]+ 202.098030 139.5
[M+HCOO]- 264.098971 169.3
[M+CH3COO]- 278.114621 188.1
[M+Na-2H]- 240.075436 154.8
[M]+ 219.10022142 148.9
[M]- 219.10131858 148.9
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.