CID 11790504

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

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C(=O)C2
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-7-4-5-8(12)9(13)6-7/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKey
XWIJVOQGKJHEAJ-SFYZADRCSA-N
Compound name
tert-butyl (1S,4R)-2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

102
Patents

211.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 150.6
[M+Na]+ 234.110068 158.1
[M-H]- 210.113574 152.3
[M+NH4]+ 229.154673 173.6
[M+K]+ 250.084008 157.2
[M+H-H2O]+ 194.118110 146.6
[M+HCOO]- 256.119051 168.3
[M+CH3COO]- 270.134701 185.9
[M+Na-2H]- 232.095516 152.5
[M]+ 211.12030142 152.0
[M]- 211.12139858 152.0
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