CID 64165936

1803589-93-6

Structural Information

Molecular Formula
C11H14N2O2
SMILES
COC1=CC=C(C=C1)C2=NOC(C2)CN
InChI
InChI=1S/C11H14N2O2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-5,10H,6-7,12H2,1H3
InChIKey
WOBMISYQRUBEMF-UHFFFAOYSA-N
Compound name
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

206.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 144.2
[M+Na]+ 229.09475 152.0
[M-H]- 205.09825 150.1
[M+NH4]+ 224.13935 161.9
[M+K]+ 245.06869 150.6
[M+H-H2O]+ 189.10279 136.8
[M+HCOO]- 251.10373 167.6
[M+CH3COO]- 265.11938 186.4
[M+Na-2H]- 227.08020 149.1
[M]+ 206.10498 144.6
[M]- 206.10608 144.6
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

patents stripe