CID 105484696

Tert-butyl 6-(hydroxymethyl)-4-azaspiro[2.4]heptane-4-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1CC(CC12CC2)CO
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-9(8-14)6-12(13)4-5-12/h9,14H,4-8H2,1-3H3
InChIKey
LNLQSURZVQCGGJ-UHFFFAOYSA-N
Compound name
tert-butyl 6-(hydroxymethyl)-4-azaspiro[2.4]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 156.3
[M+Na]+ 250.14137 164.6
[M-H]- 226.14487 160.0
[M+NH4]+ 245.18597 172.0
[M+K]+ 266.11531 162.3
[M+H-H2O]+ 210.14941 151.8
[M+HCOO]- 272.15035 172.9
[M+CH3COO]- 286.16600 188.2
[M+Na-2H]- 248.12682 159.3
[M]+ 227.15160 158.8
[M]- 227.15270 158.8
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.