CID 18072253

5-(2,3-dihydro-1h-inden-5-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1CC2=C(C1)C=C(C=C2)C3=NN=C(O3)N
InChI
InChI=1S/C11H11N3O/c12-11-14-13-10(15-11)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,12,14)
InChIKey
FVVBLLBPORFECO-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 140.8
[M+Na]+ 224.079428 150.1
[M-H]- 200.082934 146.8
[M+NH4]+ 219.124033 160.1
[M+K]+ 240.053368 147.7
[M+H-H2O]+ 184.087470 133.5
[M+HCOO]- 246.088411 163.4
[M+CH3COO]- 260.104061 154.5
[M+Na-2H]- 222.064876 145.8
[M]+ 201.08966142 140.2
[M]- 201.09075858 140.2
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.