CID 71305982

Tert-butyl 6-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1CO)CC2
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-9-13(6-7-13)5-4-10(14)8-15/h10,15H,4-9H2,1-3H3
InChIKey
SINYZZWXJNWNAG-UHFFFAOYSA-N
Compound name
tert-butyl 6-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 161.5
[M+Na]+ 264.15702 168.6
[M-H]- 240.16052 164.8
[M+NH4]+ 259.20162 174.9
[M+K]+ 280.13096 166.6
[M+H-H2O]+ 224.16506 156.2
[M+HCOO]- 286.16600 175.9
[M+CH3COO]- 300.18165 191.5
[M+Na-2H]- 262.14247 165.1
[M]+ 241.16725 162.4
[M]- 241.16835 162.4
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.