CID 64164575

1803561-63-8

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1COC2=C1C=C(C=C2)C3=NOC(C3)CN
InChI
InChI=1S/C12H14N2O2/c13-7-10-6-11(14-16-10)8-1-2-12-9(5-8)3-4-15-12/h1-2,5,10H,3-4,6-7,13H2
InChIKey
UHZZZORGKUJRQY-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 146.2
[M+Na]+ 241.09475 154.0
[M-H]- 217.09825 153.5
[M+NH4]+ 236.13935 164.7
[M+K]+ 257.06869 153.1
[M+H-H2O]+ 201.10279 140.0
[M+HCOO]- 263.10373 167.5
[M+CH3COO]- 277.11938 159.5
[M+Na-2H]- 239.08020 150.5
[M]+ 218.10498 146.0
[M]- 218.10608 146.0
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.