CID 53302076

1258639-21-2

Structural Information

Molecular Formula
C12H21F2NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(CO)(F)F
InChI
InChI=1S/C12H21F2NO3/c1-11(2,3)18-10(17)15-6-4-9(5-7-15)12(13,14)8-16/h9,16H,4-8H2,1-3H3
InChIKey
WNWABSZTCPDJRS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1,1-difluoro-2-hydroxyethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.14896 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15624 160.9
[M+Na]+ 288.13818 165.6
[M-H]- 264.14168 158.3
[M+NH4]+ 283.18278 175.6
[M+K]+ 304.11212 164.2
[M+H-H2O]+ 248.14622 153.6
[M+HCOO]- 310.14716 172.0
[M+CH3COO]- 324.16281 193.0
[M+Na-2H]- 286.12363 162.9
[M]+ 265.14841 156.1
[M]- 265.14951 156.1
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.