CID 101198140

Tert-butyl 1-formyl-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CC2CC1(C2)C=O
InChI
InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-8-4-11(12,5-8)7-13/h7-8H,4-6H2,1-3H3
InChIKey
NTTHGKHKOKQXCD-UHFFFAOYSA-N
Compound name
tert-butyl 1-formyl-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

211.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 159.0
[M+Na]+ 234.11007 164.9
[M-H]- 210.11357 158.9
[M+NH4]+ 229.15467 179.2
[M+K]+ 250.08401 166.7
[M+H-H2O]+ 194.11811 152.5
[M+HCOO]- 256.11905 173.5
[M+CH3COO]- 270.13470 190.7
[M+Na-2H]- 232.09552 164.7
[M]+ 211.12030 174.0
[M]- 211.12140 174.0
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