CID 10488092

Tert-butyl (1r,4s)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C=C2
InChI
InChI=1S/C11H17NO2/c1-11(2,3)14-10(13)12-8-4-5-9(12)7-6-8/h4-5,8-9H,6-7H2,1-3H3/t8-,9+
InChIKey
JXEJQZWFLWTZFC-DTORHVGOSA-N
Compound name
tert-butyl (1S,4R)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 148.0
[M+Na]+ 218.11515 155.6
[M-H]- 194.11865 149.9
[M+NH4]+ 213.15975 171.7
[M+K]+ 234.08909 154.6
[M+H-H2O]+ 178.12319 143.6
[M+HCOO]- 240.12413 167.0
[M+CH3COO]- 254.13978 183.2
[M+Na-2H]- 216.10060 151.3
[M]+ 195.12538 149.8
[M]- 195.12648 149.8
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.