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]+ 204.113146 143.7
[M+Na]+ 226.095088 151.8
[M-H]- 202.098594 148.1
[M+NH4]+ 221.139693 160.0
[M+K]+ 242.069028 149.5
[M+H-H2O]+ 186.103130 135.2
[M+HCOO]- 248.104071 167.0
[M+CH3COO]- 262.119721 185.6
[M+Na-2H]- 224.080536 150.2
[M]+ 203.10532142 144.3
[M]- 203.10641858 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.