CID 50986392

Tert-butyl (1r,5s,6s)-6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([C@@H]2C1)N
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-7-4-9(12)8(7)6-13/h7-9H,4-6,12H2,1-3H3/t7-,8+,9-/m0/s1
InChIKey
IIZSRECJUBGQCE-YIZRAAEISA-N
Compound name
tert-butyl (1R,5S,6S)-6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 151.8
[M+Na]+ 235.14170 156.4
[M-H]- 211.14520 154.1
[M+NH4]+ 230.18630 165.3
[M+K]+ 251.11564 158.4
[M+H-H2O]+ 195.14974 141.3
[M+HCOO]- 257.15068 168.4
[M+CH3COO]- 271.16633 192.5
[M+Na-2H]- 233.12715 153.1
[M]+ 212.15193 158.8
[M]- 212.15303 158.8
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.