CID 53402070

1049677-76-0

Structural Information

Molecular Formula
C6H9FN2O
SMILES
CC(C)(C1=NOC(=C1)N)F
InChI
InChI=1S/C6H9FN2O/c1-6(2,7)4-3-5(8)10-9-4/h3H,8H2,1-2H3
InChIKey
VERBLYWQRHTUCK-UHFFFAOYSA-N
Compound name
3-(2-fluoropropan-2-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

144.06989 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07717 126.5
[M+Na]+ 167.05911 135.7
[M-H]- 143.06261 128.3
[M+NH4]+ 162.10371 147.0
[M+K]+ 183.03305 135.6
[M+H-H2O]+ 127.06715 120.3
[M+HCOO]- 189.06809 148.6
[M+CH3COO]- 203.08374 175.2
[M+Na-2H]- 165.04456 133.6
[M]+ 144.06934 125.5
[M]- 144.07044 125.5
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