CID 84679792

Tert-butyl 1-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC2CO
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(11)5-13/h8,13H,4-7H2,1-3H3
InChIKey
ZXSCXCSUDLDROE-UHFFFAOYSA-N
Compound name
tert-butyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 153.2
[M+Na]+ 236.12571 160.6
[M-H]- 212.12921 157.2
[M+NH4]+ 231.17031 161.8
[M+K]+ 252.09965 161.7
[M+H-H2O]+ 196.13375 143.9
[M+HCOO]- 258.13469 169.1
[M+CH3COO]- 272.15034 190.3
[M+Na-2H]- 234.11116 157.5
[M]+ 213.13594 165.1
[M]- 213.13704 165.1
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.