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]+ 199.144106 148.2
[M+Na]+ 221.126048 157.6
[M-H]- 197.129554 151.8
[M+NH4]+ 216.170653 164.2
[M+K]+ 237.099988 154.3
[M+H-H2O]+ 181.134090 143.0
[M+HCOO]- 243.135031 167.1
[M+CH3COO]- 257.150681 189.7
[M+Na-2H]- 219.111496 151.1
[M]+ 198.13628142 150.6
[M]- 198.13737858 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.