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 (1R,4S)-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]+ 196.133206 148.0
[M+Na]+ 218.115148 155.6
[M-H]- 194.118654 149.9
[M+NH4]+ 213.159753 171.7
[M+K]+ 234.089088 154.6
[M+H-H2O]+ 178.123190 143.6
[M+HCOO]- 240.124131 167.0
[M+CH3COO]- 254.139781 183.2
[M+Na-2H]- 216.100596 151.3
[M]+ 195.12538142 149.8
[M]- 195.12647858 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.