CID 167720071

1-[3-(fluoromethyl)bicyclo[1.1.1]pentan-1-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C7H12FN
SMILES
C1C2(CC1(C2)CF)CN
InChI
InChI=1S/C7H12FN/c8-4-6-1-7(2-6,3-6)5-9/h1-5,9H2
InChIKey
UUCOLJWIDAYZEX-UHFFFAOYSA-N
Compound name
[3-(fluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.09538 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.10266 148.2
[M+Na]+ 152.08460 152.5
[M-H]- 128.08810 150.4
[M+NH4]+ 147.12920 155.6
[M+K]+ 168.05854 157.5
[M+H-H2O]+ 112.09264 134.8
[M+HCOO]- 174.09358 161.3
[M+CH3COO]- 188.10923 204.5
[M+Na-2H]- 150.07005 154.6
[M]+ 129.09483 170.4
[M]- 129.09593 170.4
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

No patent data available for this compound.