CID 134819070

2250243-65-1

Structural Information

Molecular Formula
C12H19F2NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)(C(F)F)O
InChI
InChI=1S/C12H19F2NO3/c1-10(2,3)18-9(16)15-6-11(7-15)4-12(17,5-11)8(13)14/h8,17H,4-7H2,1-3H3
InChIKey
XUEWAUFFMPPYDO-UHFFFAOYSA-N
Compound name
tert-butyl 6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14058 162.4
[M+Na]+ 286.12252 166.2
[M-H]- 262.12602 163.0
[M+NH4]+ 281.16712 168.1
[M+K]+ 302.09646 170.4
[M+H-H2O]+ 246.13056 148.9
[M+HCOO]- 308.13150 172.5
[M+CH3COO]- 322.14715 203.8
[M+Na-2H]- 284.10797 163.8
[M]+ 263.13275 176.0
[M]- 263.13385 176.0
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.