CID 146767336

4-(3,3-difluorocyclobutyl)piperidine hydrochloride

Structural Information

Molecular Formula
C9H15F2N
SMILES
C1CNCCC1C2CC(C2)(F)F
InChI
InChI=1S/C9H15F2N/c10-9(11)5-8(6-9)7-1-3-12-4-2-7/h7-8,12H,1-6H2
InChIKey
RQWQDHNYMQTYGW-UHFFFAOYSA-N
Compound name
4-(3,3-difluorocyclobutyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11725 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12453 137.2
[M+Na]+ 198.10647 141.7
[M-H]- 174.10997 137.8
[M+NH4]+ 193.15107 150.7
[M+K]+ 214.08041 141.8
[M+H-H2O]+ 158.11451 125.0
[M+HCOO]- 220.11545 151.0
[M+CH3COO]- 234.13110 180.3
[M+Na-2H]- 196.09192 140.6
[M]+ 175.11670 135.8
[M]- 175.11780 135.8
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.