CID 84716391

2241139-00-2

Structural Information

Molecular Formula
C7H13F2N
SMILES
C1C(CC1C(F)F)CCN
InChI
InChI=1S/C7H13F2N/c8-7(9)6-3-5(4-6)1-2-10/h5-7H,1-4,10H2
InChIKey
XYQUBRZAENETHP-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)cyclobutyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.10161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10889 132.9
[M+Na]+ 172.09083 137.8
[M-H]- 148.09433 133.1
[M+NH4]+ 167.13543 147.1
[M+K]+ 188.06477 139.4
[M+H-H2O]+ 132.09887 120.7
[M+HCOO]- 194.09981 151.8
[M+CH3COO]- 208.11546 183.1
[M+Na-2H]- 170.07628 134.9
[M]+ 149.10106 135.7
[M]- 149.10216 135.7
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.