CID 165769199

En300-7563982

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C12CCC2)CO
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-5-10(9-15)13(14)6-4-7-13/h10,15H,4-9H2,1-3H3
InChIKey
ZFTJYTXJLVUPKJ-UHFFFAOYSA-N
Compound name
tert-butyl 8-(hydroxymethyl)-5-azaspiro[3.4]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 157.7
[M+Na]+ 264.15702 161.7
[M-H]- 240.16052 160.3
[M+NH4]+ 259.20162 171.1
[M+K]+ 280.13096 163.3
[M+H-H2O]+ 224.16506 148.4
[M+HCOO]- 286.16600 172.5
[M+CH3COO]- 300.18165 190.9
[M+Na-2H]- 262.14247 159.5
[M]+ 241.16725 165.0
[M]- 241.16835 165.0
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.