CID 137935653

Rac-tert-butyl (1r,5r,6r)-6-amino-2-azabicyclo[3.1.0]hexane-2-carboxylate

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1[C@@H]2N
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-4-6-7(11)8(6)12/h6-8H,4-5,11H2,1-3H3/t6-,7-,8-/m1/s1
InChIKey
QYWHMAGYAFGLJH-BWZBUEFSSA-N
Compound name
tert-butyl (1R,5R,6R)-6-amino-2-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 148.2
[M+Na]+ 221.12605 157.6
[M-H]- 197.12955 151.8
[M+NH4]+ 216.17065 164.2
[M+K]+ 237.09999 154.3
[M+H-H2O]+ 181.13409 143.0
[M+HCOO]- 243.13503 167.1
[M+CH3COO]- 257.15068 189.7
[M+Na-2H]- 219.11150 151.1
[M]+ 198.13628 150.6
[M]- 198.13738 150.6
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

No patent data available for this compound.