CID 139026824

2361643-77-6

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1C2(CC1(OC2)CN)C(F)(F)F
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)5-1-6(2-5,3-11)12-4-5/h1-4,11H2
InChIKey
BUNFERCYUISUTE-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

181.07144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07872 142.7
[M+Na]+ 204.06066 150.1
[M-H]- 180.06416 140.9
[M+NH4]+ 199.10526 165.3
[M+K]+ 220.03460 151.2
[M+H-H2O]+ 164.06870 135.2
[M+HCOO]- 226.06964 156.7
[M+CH3COO]- 240.08529 185.5
[M+Na-2H]- 202.04611 151.8
[M]+ 181.07089 150.8
[M]- 181.07199 150.8
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

patents stripe