CID 70700531

Tert-butyl n-[(1r,5s)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N[C@]12C[C@H]1CNC2
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-10-4-7(10)5-11-6-10/h7,11H,4-6H2,1-3H3,(H,12,13)/t7-,10-/m0/s1
InChIKey
IJHTZGBRXSYOMG-XVKPBYJWSA-N
Compound name
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

198.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 148.3
[M+Na]+ 221.12605 156.3
[M-H]- 197.12955 150.7
[M+NH4]+ 216.17065 165.3
[M+K]+ 237.09999 153.6
[M+H-H2O]+ 181.13409 143.9
[M+HCOO]- 243.13503 166.2
[M+CH3COO]- 257.15068 185.2
[M+Na-2H]- 219.11150 154.3
[M]+ 198.13628 149.6
[M]- 198.13738 149.6
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