CID 132398576

[3-(difluoromethyl)-1,2-oxazol-5-yl]methanamine

Structural Information

Molecular Formula
C5H6F2N2O
SMILES
C1=C(ON=C1C(F)F)CN
InChI
InChI=1S/C5H6F2N2O/c6-5(7)4-1-3(2-8)10-9-4/h1,5H,2,8H2
InChIKey
VNPOUDQWPHQVOQ-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.04482 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05210 124.7
[M+Na]+ 171.03404 133.5
[M-H]- 147.03754 124.9
[M+NH4]+ 166.07864 144.6
[M+K]+ 187.00798 133.3
[M+H-H2O]+ 131.04208 116.9
[M+HCOO]- 193.04302 146.5
[M+CH3COO]- 207.05867 175.4
[M+Na-2H]- 169.01949 129.7
[M]+ 148.04427 122.0
[M]- 148.04537 122.0
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.