CID 71627128

Tert-butyl 3,6-diazabicyclo[3.1.0]hexane-3-carboxylate

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)(C)OC(=O)N1CC2C(C1)N2
InChI
InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-4-6-7(5-11)10-6/h6-7,10H,4-5H2,1-3H3
InChIKey
NESJIKNHKZMHND-UHFFFAOYSA-N
Compound name
tert-butyl 3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

184.12119 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 149.4
[M+Na]+ 207.11041 158.8
[M-H]- 183.11391 150.6
[M+NH4]+ 202.15501 164.3
[M+K]+ 223.08435 155.3
[M+H-H2O]+ 167.11845 143.5
[M+HCOO]- 229.11939 165.6
[M+CH3COO]- 243.13504 181.8
[M+Na-2H]- 205.09586 152.9
[M]+ 184.12064 151.3
[M]- 184.12174 151.3
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