CID 154577352

2418695-56-2

Structural Information

Molecular Formula
C7H12FNO
SMILES
C1C2(CC1(OC2)CF)CN
InChI
InChI=1S/C7H12FNO/c8-3-7-1-6(2-7,4-9)5-10-7/h1-5,9H2
InChIKey
FBMUGUYVNAETIB-UHFFFAOYSA-N
Compound name
[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.09029 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.097566 133.9
[M+Na]+ 168.079508 140.8
[M-H]- 144.083014 134.4
[M+NH4]+ 163.124113 157.9
[M+K]+ 184.053448 142.2
[M+H-H2O]+ 128.087550 127.2
[M+HCOO]- 190.088491 151.4
[M+CH3COO]- 204.104141 180.5
[M+Na-2H]- 166.064956 143.4
[M]+ 145.08974142 144.8
[M]- 145.09083858 144.8
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

No patent data available for this compound.