CID 130156673

Tert-butyl n-{3-azabicyclo[4.2.0]octan-7-yl}carbamate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC1CC2C1CCNC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-7-13-5-4-9(8)10/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKey
DCACGZPYEMMOEM-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-azabicyclo[4.2.0]octan-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 155.7
[M+Na]+ 249.15734 158.0
[M-H]- 225.16084 156.1
[M+NH4]+ 244.20194 166.1
[M+K]+ 265.13128 159.5
[M+H-H2O]+ 209.16538 144.1
[M+HCOO]- 271.16632 169.1
[M+CH3COO]- 285.18197 192.8
[M+Na-2H]- 247.14279 159.0
[M]+ 226.16757 159.9
[M]- 226.16867 159.9
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.