CID 96870659

2137676-21-0

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@@]2([C@H]1C2)N
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-4-5-11(12)7-8(11)13/h8H,4-7,12H2,1-3H3/t8-,11-/m1/s1
InChIKey
XSTOWBSLINCVAA-LDYMZIIASA-N
Compound name
tert-butyl (1R,6R)-6-amino-2-azabicyclo[4.1.0]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 151.1
[M+Na]+ 235.14170 161.0
[M+NH4]+ 230.18630 160.3
[M+K]+ 251.11564 156.6
[M-H]- 211.14520 158.2
[M+Na-2H]- 233.12715 157.4
[M]+ 212.15193 155.6
[M]- 212.15303 155.6
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.