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

73
Patents

121.070305 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 121.3
[M+Na]+ 144.05952 128.3
[M-H]- 120.06303 122.9
[M+NH4]+ 139.10413 139.1
[M+K]+ 160.03346 130.4
[M+H-H2O]+ 104.06756 111.1
[M+HCOO]- 166.06851 142.6
[M+CH3COO]- 180.08416 176.7
[M+Na-2H]- 142.04497 128.0
[M]+ 121.06976 125.5
[M]- 121.07085 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