CID 132327620

2126177-92-0

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)C1CC2(C1)CCC(O2)CN
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(15)9-6-13(7-9)5-4-10(8-14)16-13/h9-10H,4-8,14H2,1-3H3
InChIKey
VIKVRVRILDDJRV-UHFFFAOYSA-N
Compound name
tert-butyl 6-(aminomethyl)-5-oxaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 159.9
[M+Na]+ 264.15702 162.0
[M+NH4]+ 259.20162 163.9
[M+K]+ 280.13096 160.7
[M-H]- 240.16052 158.6
[M+Na-2H]- 262.14247 159.8
[M]+ 241.16725 158.4
[M]- 241.16835 158.4
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.