CID 65101560

1187947-35-8

Structural Information

Molecular Formula
C11H13FN2O2
SMILES
COC1=C(C=C(C=C1)C2=NOC(C2)CN)F
InChI
InChI=1S/C11H13FN2O2/c1-15-11-3-2-7(4-9(11)12)10-5-8(6-13)16-14-10/h2-4,8H,5-6,13H2,1H3
InChIKey
GYNFZWWYGMMAQX-UHFFFAOYSA-N
Compound name
[3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0961 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10338 149.3
[M+Na]+ 247.08532 160.6
[M+NH4]+ 242.12992 156.5
[M+K]+ 263.05926 157.0
[M-H]- 223.08882 152.4
[M+Na-2H]- 245.07077 154.7
[M]+ 224.09555 151.6
[M]- 224.09665 151.6
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

No patent data available for this compound.