CID 105427725

1-(aminomethyl)-3-(fluoromethyl)cyclobutan-1-ol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.09029 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09757 128.3
[M+Na]+ 156.07951 134.3
[M-H]- 132.08301 129.1
[M+NH4]+ 151.12411 144.6
[M+K]+ 172.05345 135.7
[M+H-H2O]+ 116.08755 118.7
[M+HCOO]- 178.08849 148.3
[M+CH3COO]- 192.10414 175.6
[M+Na-2H]- 154.06496 133.3
[M]+ 133.08974 132.6
[M]- 133.09084 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.