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]+ 146.09757 133.9
[M+Na]+ 168.07951 140.8
[M-H]- 144.08301 134.4
[M+NH4]+ 163.12411 157.9
[M+K]+ 184.05345 142.2
[M+H-H2O]+ 128.08755 127.2
[M+HCOO]- 190.08849 151.4
[M+CH3COO]- 204.10414 180.5
[M+Na-2H]- 166.06496 143.4
[M]+ 145.08974 144.8
[M]- 145.09084 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.