CID 145913847

3-amino-3-(2-fluoroethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C6H12FNO
SMILES
C1C(CC1(CCF)N)O
InChI
InChI=1S/C6H12FNO/c7-2-1-6(8)3-5(9)4-6/h5,9H,1-4,8H2
InChIKey
IZYBGMNGKNMNMQ-UHFFFAOYSA-N
Compound name
3-amino-3-(2-fluoroethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.09029 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.097566 128.3
[M+Na]+ 156.079508 134.3
[M-H]- 132.083014 129.1
[M+NH4]+ 151.124113 144.6
[M+K]+ 172.053448 135.7
[M+H-H2O]+ 116.087550 118.7
[M+HCOO]- 178.088491 148.3
[M+CH3COO]- 192.104141 175.6
[M+Na-2H]- 154.064956 133.3
[M]+ 133.08974142 132.6
[M]- 133.09083858 132.6
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.