CID 122236573

Tert-butyl 5-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC2CO
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-12(8-13)5-4-9(12)6-14/h9,14H,4-8H2,1-3H3
InChIKey
GKUQQNJZWZMEOG-UHFFFAOYSA-N
Compound name
tert-butyl 7-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

227.15215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 160.6
[M+Na]+ 250.14137 160.0
[M+NH4]+ 245.18597 160.1
[M+K]+ 266.11531 158.5
[M-H]- 226.14487 154.6
[M+Na-2H]- 248.12682 158.8
[M]+ 227.15160 156.5
[M]- 227.15270 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.