CID 84647774

3-(difluoromethyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
C1C(CC1N)C(F)F
InChI
InChI=1S/C5H9F2N/c6-5(7)3-1-4(8)2-3/h3-5H,1-2,8H2
InChIKey
VJFAMWLVDBNHLQ-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 123.4
[M+Na]+ 144.059523 129.1
[M-H]- 120.063029 124.0
[M+NH4]+ 139.104128 138.7
[M+K]+ 160.033463 131.3
[M+H-H2O]+ 104.067565 111.6
[M+HCOO]- 166.068506 142.9
[M+CH3COO]- 180.084156 177.2
[M+Na-2H]- 142.044971 126.5
[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