CID 139022799

Rac-tert-butyl (1r,6s)-2,5-diazabicyclo(4.2.0)octane-2-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCN[C@H]2[C@@H]1CC2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-6-12-8-4-5-9(8)13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKey
JIIFXMDXOJFVMW-BDAKNGLRSA-N
Compound name
tert-butyl (1S,6R)-2,5-diazabicyclo[4.2.0]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.15248 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 151.8
[M+Na]+ 235.14170 155.7
[M-H]- 211.14520 151.1
[M+NH4]+ 230.18630 161.9
[M+K]+ 251.11564 157.2
[M+H-H2O]+ 195.14974 140.2
[M+HCOO]- 257.15068 163.4
[M+CH3COO]- 271.16633 187.7
[M+Na-2H]- 233.12715 155.3
[M]+ 212.15193 157.0
[M]- 212.15303 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

No patent data available for this compound.