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]+ 207.112806 144.2
[M+Na]+ 229.094748 152.0
[M-H]- 205.098254 150.1
[M+NH4]+ 224.139353 161.9
[M+K]+ 245.068688 150.6
[M+H-H2O]+ 189.102790 136.8
[M+HCOO]- 251.103731 167.6
[M+CH3COO]- 265.119381 186.4
[M+Na-2H]- 227.080196 149.1
[M]+ 206.10498142 144.6
[M]- 206.10607858 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