CID 175855228

Schembl30241599

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1([C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-5-8-9(6-13)12(8,4)7-14/h8-9,14H,5-7H2,1-4H3/t8-,9+,12?
InChIKey
FQRBTWQPAQGUGY-USUYBEQLSA-N
Compound name
tert-butyl (1S,5R)-6-(hydroxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

227.15215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 156.7
[M+Na]+ 250.141368 166.3
[M-H]- 226.144874 159.5
[M+NH4]+ 245.185973 173.5
[M+K]+ 266.115308 163.6
[M+H-H2O]+ 210.149410 153.0
[M+HCOO]- 272.150351 172.9
[M+CH3COO]- 286.166001 190.5
[M+Na-2H]- 248.126816 160.1
[M]+ 227.15160142 161.6
[M]- 227.15269858 161.6
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