CID 165142103

Tert-butyl 10-(hydroxymethyl)-7-azaspiro[4.5]decane-7-carboxylate

Structural Information

Molecular Formula
C15H27NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C2(C1)CCCC2)CO
InChI
InChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-9-6-12(10-17)15(11-16)7-4-5-8-15/h12,17H,4-11H2,1-3H3
InChIKey
WMGCLPXUAWMSOI-UHFFFAOYSA-N
Compound name
tert-butyl 10-(hydroxymethyl)-7-azaspiro[4.5]decane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

269.1991 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.20638 167.8
[M+Na]+ 292.18832 171.4
[M-H]- 268.19182 169.5
[M+NH4]+ 287.23292 186.3
[M+K]+ 308.16226 169.5
[M+H-H2O]+ 252.19636 162.2
[M+HCOO]- 314.19730 180.7
[M+CH3COO]- 328.21295 192.3
[M+Na-2H]- 290.17377 168.4
[M]+ 269.19855 163.2
[M]- 269.19965 163.2
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