CID 154575264

3-(3,3-difluorocyclobutyl)pyrrolidine

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1CNCC1C2CC(C2)(F)F
InChI
InChI=1S/C8H13F2N/c9-8(10)3-7(4-8)6-1-2-11-5-6/h6-7,11H,1-5H2
InChIKey
UNWNQSGLXVRRIC-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

161.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10889 131.3
[M+Na]+ 184.09083 136.9
[M-H]- 160.09433 132.5
[M+NH4]+ 179.13543 147.2
[M+K]+ 200.06477 137.0
[M+H-H2O]+ 144.09887 120.0
[M+HCOO]- 206.09981 147.6
[M+CH3COO]- 220.11546 177.1
[M+Na-2H]- 182.07628 134.1
[M]+ 161.10106 131.7
[M]- 161.10216 131.7
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