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 147.1
[M+Na]+ 247.08532 155.9
[M-H]- 223.08882 151.9
[M+NH4]+ 242.12992 164.2
[M+K]+ 263.05926 154.0
[M+H-H2O]+ 207.09336 138.9
[M+HCOO]- 269.09430 169.4
[M+CH3COO]- 283.10995 190.3
[M+Na-2H]- 245.07077 150.7
[M]+ 224.09555 146.8
[M]- 224.09665 146.8
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.