CID 66848100

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

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC2)CC1CO
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-7-6-13(4-5-13)8-10(14)9-15/h10,15H,4-9H2,1-3H3
InChIKey
IGNPZIKVBPDVMR-UHFFFAOYSA-N
Compound name
tert-butyl 7-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

241.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 160.0
[M+Na]+ 264.15702 170.2
[M+NH4]+ 259.20162 168.6
[M+K]+ 280.13096 165.6
[M-H]- 240.16052 166.9
[M+Na-2H]- 262.14247 166.5
[M]+ 241.16725 164.5
[M]- 241.16835 164.5
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