CID 20113403

5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC(C)(C1=CC=CC=C1)C2=NN=C(O2)N
InChI
InChI=1S/C11H13N3O/c1-11(2,8-6-4-3-5-7-8)9-13-14-10(12)15-9/h3-7H,1-2H3,(H2,12,14)
InChIKey
ISEONSGTBRHUOO-UHFFFAOYSA-N
Compound name
5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 144.5
[M+Na]+ 226.09509 153.0
[M-H]- 202.09859 149.3
[M+NH4]+ 221.13969 160.9
[M+K]+ 242.06903 151.2
[M+H-H2O]+ 186.10313 136.8
[M+HCOO]- 248.10407 166.2
[M+CH3COO]- 262.11972 186.0
[M+Na-2H]- 224.08054 151.8
[M]+ 203.10532 144.6
[M]- 203.10642 144.6
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

patents stripe