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

38
Patents

184.12119 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 149.4
[M+Na]+ 207.110408 158.8
[M-H]- 183.113914 150.6
[M+NH4]+ 202.155013 164.3
[M+K]+ 223.084348 155.3
[M+H-H2O]+ 167.118450 143.5
[M+HCOO]- 229.119391 165.6
[M+CH3COO]- 243.135041 181.8
[M+Na-2H]- 205.095856 152.9
[M]+ 184.12064142 151.3
[M]- 184.12173858 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