CID 156442170

Schembl23481935

Structural Information

Molecular Formula
C7H12FN
SMILES
CC(C12CC(C1)(C2)F)N
InChI
InChI=1S/C7H12FN/c1-5(9)6-2-7(8,3-6)4-6/h5H,2-4,9H2,1H3
InChIKey
FQQORIJRJOEERY-UHFFFAOYSA-N
Compound name
1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

129.09538 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.10266 152.9
[M+Na]+ 152.08460 156.7
[M-H]- 128.08810 155.1
[M+NH4]+ 147.12920 160.1
[M+K]+ 168.05854 162.2
[M+H-H2O]+ 112.09264 139.3
[M+HCOO]- 174.09358 165.0
[M+CH3COO]- 188.10923 205.1
[M+Na-2H]- 150.07005 157.9
[M]+ 129.09483 174.4
[M]- 129.09593 174.4
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