CID 59152262

3,3-difluoro-n-methylcyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
CNC1CC(C1)(F)F
InChI
InChI=1S/C5H9F2N/c1-8-4-2-5(6,7)3-4/h4,8H,2-3H2,1H3
InChIKey
SFSJGDLPZNJHHA-UHFFFAOYSA-N
Compound name
3,3-difluoro-N-methylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

121.070305 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.077581 121.3
[M+Na]+ 144.059523 128.3
[M-H]- 120.063029 122.9
[M+NH4]+ 139.104128 139.1
[M+K]+ 160.033463 130.4
[M+H-H2O]+ 104.067565 111.1
[M+HCOO]- 166.068506 142.6
[M+CH3COO]- 180.084156 176.7
[M+Na-2H]- 142.044971 128.0
[M]+ 121.06975642 125.5
[M]- 121.07085358 125.5
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