CID 71305966

Tert-butyl 8-(hydroxymethyl)-2,6-diazaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CNCC2CO
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-7-12(8-14)6-13-4-9(12)5-15/h9,13,15H,4-8H2,1-3H3
InChIKey
AKKICTYCRNCDKH-UHFFFAOYSA-N
Compound name
tert-butyl 5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 159.7
[M+Na]+ 265.15226 163.6
[M-H]- 241.15576 159.6
[M+NH4]+ 260.19686 170.9
[M+K]+ 281.12620 164.6
[M+H-H2O]+ 225.16030 149.6
[M+HCOO]- 287.16124 172.0
[M+CH3COO]- 301.17689 188.3
[M+Na-2H]- 263.13771 161.2
[M]+ 242.16249 165.3
[M]- 242.16359 165.3
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.