CID 137698589

Tert-butyl 4-methoxy-3,9-diazabicyclo[4.2.1]non-3-ene-9-carboxylate

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1C2CCC1CN=C(C2)OC
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(16)15-9-5-6-10(15)8-14-11(7-9)17-4/h9-10H,5-8H2,1-4H3
InChIKey
RYMJMFRXYNIBJD-UHFFFAOYSA-N
Compound name
tert-butyl 4-methoxy-3,9-diazabicyclo[4.2.1]non-3-ene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16304 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 157.3
[M+Na]+ 277.15226 162.8
[M-H]- 253.15576 159.0
[M+NH4]+ 272.19686 174.6
[M+K]+ 293.12620 165.2
[M+H-H2O]+ 237.16030 151.1
[M+HCOO]- 299.16124 172.0
[M+CH3COO]- 313.17689 195.5
[M+Na-2H]- 275.13771 160.5
[M]+ 254.16249 156.7
[M]- 254.16359 156.7
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.