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]+ 176.124526 137.2
[M+Na]+ 198.106468 141.7
[M-H]- 174.109974 137.8
[M+NH4]+ 193.151073 150.7
[M+K]+ 214.080408 141.8
[M+H-H2O]+ 158.114510 125.0
[M+HCOO]- 220.115451 151.0
[M+CH3COO]- 234.131101 180.3
[M+Na-2H]- 196.091916 140.6
[M]+ 175.11670142 135.8
[M]- 175.11779858 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.