CID 72207926

3,3-difluoro-1-methylcyclobutanamine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
CC1(CC(C1)(F)F)N
InChI
InChI=1S/C5H9F2N/c1-4(8)2-5(6,7)3-4/h2-3,8H2,1H3
InChIKey
WUZMZQGHLORJBL-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-methylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

121.070305 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 122.9
[M+Na]+ 144.05952 130.9
[M-H]- 120.06303 124.6
[M+NH4]+ 139.10413 142.4
[M+K]+ 160.03346 132.6
[M+H-H2O]+ 104.06756 114.1
[M+HCOO]- 166.06851 143.6
[M+CH3COO]- 180.08416 175.8
[M+Na-2H]- 142.04497 129.6
[M]+ 121.06976 126.5
[M]- 121.07085 126.5
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