CID 54772387

1262412-64-5

Structural Information

Molecular Formula
C11H19F2NO3
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)(F)F)CO
InChI
InChI=1S/C11H19F2NO3/c1-10(2,3)17-9(16)14-5-8(6-15)4-11(12,13)7-14/h8,15H,4-7H2,1-3H3
InChIKey
DKUMSJHVAJEAQF-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-difluoro-5-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

251.1333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14058 155.5
[M+Na]+ 274.12252 162.0
[M-H]- 250.12602 153.4
[M+NH4]+ 269.16712 173.0
[M+K]+ 290.09646 160.8
[M+H-H2O]+ 234.13056 149.0
[M+HCOO]- 296.13150 168.4
[M+CH3COO]- 310.14715 190.3
[M+Na-2H]- 272.10797 157.7
[M]+ 251.13275 151.5
[M]- 251.13385 151.5
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