CID 165739932

3-(aminomethyl)-3-fluorocyclobutan-1-ol hydrochloride

Structural Information

Molecular Formula
C5H10FNO
SMILES
C1C(CC1(CN)F)O
InChI
InChI=1S/C5H10FNO/c6-5(3-7)1-4(8)2-5/h4,8H,1-3,7H2
InChIKey
NPSHBHMEDYXSIX-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-3-fluorocyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

119.07464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08192 123.7
[M+Na]+ 142.06386 130.1
[M-H]- 118.06736 124.7
[M+NH4]+ 137.10846 140.5
[M+K]+ 158.03780 131.8
[M+H-H2O]+ 102.07190 114.3
[M+HCOO]- 164.07284 144.1
[M+CH3COO]- 178.08849 172.6
[M+Na-2H]- 140.04931 129.3
[M]+ 119.07409 127.6
[M]- 119.07519 127.6
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.