CID 50986413

Tert-butyl 6-hydroxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C12H18F3NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)(C(F)(F)F)O
InChI
InChI=1S/C12H18F3NO3/c1-9(2,3)19-8(17)16-6-10(7-16)4-11(18,5-10)12(13,14)15/h18H,4-7H2,1-3H3
InChIKey
HKDQMAXFXVWMMK-UHFFFAOYSA-N
Compound name
tert-butyl 6-hydroxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

281.12387 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13115 164.9
[M+Na]+ 304.11309 169.4
[M-H]- 280.11659 164.5
[M+NH4]+ 299.15769 170.2
[M+K]+ 320.08703 173.2
[M+H-H2O]+ 264.12113 151.3
[M+HCOO]- 326.12207 173.6
[M+CH3COO]- 340.13772 205.2
[M+Na-2H]- 302.09854 167.8
[M]+ 281.12332 177.4
[M]- 281.12442 177.4
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