CID 155973854

2648957-49-5

Structural Information

Molecular Formula
C8H12F3NO
SMILES
C1C2(CC1(OC2)C(F)(F)F)CCN
InChI
InChI=1S/C8H12F3NO/c9-8(10,11)7-3-6(4-7,1-2-12)5-13-7/h1-5,12H2
InChIKey
XNSJXIHTLOAIHR-UHFFFAOYSA-N
Compound name
2-[1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0871 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09438 147.5
[M+Na]+ 218.07632 154.5
[M-H]- 194.07982 145.5
[M+NH4]+ 213.12092 169.6
[M+K]+ 234.05026 155.4
[M+H-H2O]+ 178.08436 139.9
[M+HCOO]- 240.08530 161.1
[M+CH3COO]- 254.10095 188.3
[M+Na-2H]- 216.06177 156.1
[M]+ 195.08655 156.0
[M]- 195.08765 156.0
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.