CID 28603402

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

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1CC2=C(C1)C=C(C=C2)C3=NOC(=C3)N
InChI
InChI=1S/C12H12N2O/c13-12-7-11(14-15-12)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3,13H2
InChIKey
DTDNADPDZXJANA-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 141.2
[M+Na]+ 223.08418 150.1
[M-H]- 199.08768 148.4
[M+NH4]+ 218.12878 162.0
[M+K]+ 239.05812 147.6
[M+H-H2O]+ 183.09222 134.8
[M+HCOO]- 245.09316 164.8
[M+CH3COO]- 259.10881 155.2
[M+Na-2H]- 221.06963 145.9
[M]+ 200.09441 140.4
[M]- 200.09551 140.4
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.