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

15
Patents

241.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.175076 161.5
[M+Na]+ 264.157018 168.6
[M-H]- 240.160524 164.8
[M+NH4]+ 259.201623 174.9
[M+K]+ 280.130958 166.6
[M+H-H2O]+ 224.165060 156.2
[M+HCOO]- 286.166001 175.9
[M+CH3COO]- 300.181651 191.5
[M+Na-2H]- 262.142466 165.1
[M]+ 241.16725142 162.4
[M]- 241.16834858 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

patents stripe