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]+ 204.113146 144.5
[M+Na]+ 226.095088 153.0
[M-H]- 202.098594 149.3
[M+NH4]+ 221.139693 160.9
[M+K]+ 242.069028 151.2
[M+H-H2O]+ 186.103130 136.8
[M+HCOO]- 248.104071 166.2
[M+CH3COO]- 262.119721 186.0
[M+Na-2H]- 224.080536 151.8
[M]+ 203.10532142 144.6
[M]- 203.10641858 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