CID 71305966

1357354-17-6

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]+ 243.170316 159.7
[M+Na]+ 265.152258 163.6
[M-H]- 241.155764 159.6
[M+NH4]+ 260.196863 170.9
[M+K]+ 281.126198 164.6
[M+H-H2O]+ 225.160300 149.6
[M+HCOO]- 287.161241 172.0
[M+CH3COO]- 301.176891 188.3
[M+Na-2H]- 263.137706 161.2
[M]+ 242.16249142 165.3
[M]- 242.16358858 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.