CID 16099058

Rac-tert-butyl (1r,6s)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CNCC2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-4-5-12-6-9(8)13/h8-9,12H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKey
ITVHTQLHEQGQNG-IUCAKERBSA-N
Compound name
tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

212.15248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.159756 151.8
[M+Na]+ 235.141698 155.7
[M-H]- 211.145204 151.1
[M+NH4]+ 230.186303 161.9
[M+K]+ 251.115638 157.2
[M+H-H2O]+ 195.149740 140.2
[M+HCOO]- 257.150681 163.4
[M+CH3COO]- 271.166331 187.7
[M+Na-2H]- 233.127146 155.3
[M]+ 212.15193142 157.0
[M]- 212.15302858 157.0
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