CID 12132800

Rac-tert-butyl (1r,2s,4s)-2-amino-7-azabicyclo(2.2.1)heptane-7-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C2)N
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(13)8(12)6-7/h7-9H,4-6,12H2,1-3H3/t7-,8-,9+/m1/s1
InChIKey
JRZFZVWZIJNIEQ-HLTSFMKQSA-N
Compound name
tert-butyl (1S,2R,4R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

212.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 152.7
[M+Na]+ 235.14170 159.1
[M-H]- 211.14520 153.8
[M+NH4]+ 230.18630 175.2
[M+K]+ 251.11564 158.0
[M+H-H2O]+ 195.14974 148.1
[M+HCOO]- 257.15068 170.4
[M+CH3COO]- 271.16633 189.0
[M+Na-2H]- 233.12715 154.0
[M]+ 212.15193 151.6
[M]- 212.15303 151.6
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