CID 156178211

3-(3,3-difluorocyclobutyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H13F2N
SMILES
C1C(CC1(F)F)CCCN
InChI
InChI=1S/C7H13F2N/c8-7(9)4-6(5-7)2-1-3-10/h6H,1-5,10H2
InChIKey
DMHQYYYYRKIELU-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

149.10161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.108886 131.7
[M+Na]+ 172.090828 137.9
[M-H]- 148.094334 132.4
[M+NH4]+ 167.135433 148.1
[M+K]+ 188.064768 139.1
[M+H-H2O]+ 132.098870 121.0
[M+HCOO]- 194.099811 151.7
[M+CH3COO]- 208.115461 181.9
[M+Na-2H]- 170.076276 136.2
[M]+ 149.10106142 135.6
[M]- 149.10215858 135.6
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

No patent data available for this compound.