CID 43119529

5-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C11H13N3O
SMILES
C1=CC=C(C=C1)CCCC2=NN=C(O2)N
InChI
InChI=1S/C11H13N3O/c12-11-14-13-10(15-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,14)
InChIKey
JEHSJISJSSMCTC-UHFFFAOYSA-N
Compound name
5-(3-phenylpropyl)-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 143.7
[M+Na]+ 226.09509 151.8
[M-H]- 202.09859 148.1
[M+NH4]+ 221.13969 160.0
[M+K]+ 242.06903 149.5
[M+H-H2O]+ 186.10313 135.2
[M+HCOO]- 248.10407 167.0
[M+CH3COO]- 262.11972 185.6
[M+Na-2H]- 224.08054 150.2
[M]+ 203.10532 144.3
[M]- 203.10642 144.3
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.