CID 165882984

Tert-butyl 1-(hydroxymethyl)-3-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1C2CC(C2)(N1C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H21NO3/c1-8-9-5-12(6-9,7-14)13(8)10(15)16-11(2,3)4/h8-9,14H,5-7H2,1-4H3
InChIKey
JHHBAEVEKIRZDO-UHFFFAOYSA-N
Compound name
tert-butyl 1-(hydroxymethyl)-3-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 166.6
[M+Na]+ 250.14137 172.1
[M-H]- 226.14487 165.2
[M+NH4]+ 245.18597 185.8
[M+K]+ 266.11531 173.5
[M+H-H2O]+ 210.14941 160.5
[M+HCOO]- 272.15035 179.0
[M+CH3COO]- 286.16600 193.1
[M+Na-2H]- 248.12682 170.7
[M]+ 227.15160 181.1
[M]- 227.15270 181.1
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.