CID 80610519

1-(difluoromethyl)cyclobutan-1-amine

Structural Information

Molecular Formula
C5H9F2N
SMILES
C1CC(C1)(C(F)F)N
InChI
InChI=1S/C5H9F2N/c6-4(7)5(8)2-1-3-5/h4H,1-3,8H2
InChIKey
BABBZOQDMALYMY-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

121.070305 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.077581 124.7
[M+Na]+ 144.059523 130.5
[M-H]- 120.063029 125.5
[M+NH4]+ 139.104128 141.8
[M+K]+ 160.033463 132.7
[M+H-H2O]+ 104.067565 114.1
[M+HCOO]- 166.068506 144.3
[M+CH3COO]- 180.084156 175.7
[M+Na-2H]- 142.044971 129.5
[M]+ 121.06975642 126.9
[M]- 121.07085358 126.9
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

patents stripe