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]+ 255.170316 157.3
[M+Na]+ 277.152258 162.8
[M-H]- 253.155764 159.0
[M+NH4]+ 272.196863 174.6
[M+K]+ 293.126198 165.2
[M+H-H2O]+ 237.160300 151.1
[M+HCOO]- 299.161241 172.0
[M+CH3COO]- 313.176891 195.5
[M+Na-2H]- 275.137706 160.5
[M]+ 254.16249142 156.7
[M]- 254.16358858 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.