CID 146049885

2413877-57-1

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1C2CC1(OC2C(F)(F)F)CN
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)5-4-1-6(2-4,3-11)12-5/h4-5H,1-3,11H2
InChIKey
MPCVEFWFNTXWDI-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.07144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07872 141.5
[M+Na]+ 204.06066 148.5
[M-H]- 180.06416 139.6
[M+NH4]+ 199.10526 162.4
[M+K]+ 220.03460 150.1
[M+H-H2O]+ 164.06870 133.5
[M+HCOO]- 226.06964 155.4
[M+CH3COO]- 240.08529 186.8
[M+Na-2H]- 202.04611 149.0
[M]+ 181.07089 149.6
[M]- 181.07199 149.6
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.