CID 49761053

1221818-15-0

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2C(C1)CCCN2
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-6-11-10(9-15)5-4-7-14-11/h10-11,14H,4-9H2,1-3H3
InChIKey
WHVRANRQYMSGMH-UHFFFAOYSA-N
Compound name
tert-butyl 2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 158.8
[M+Na]+ 263.17300 167.2
[M+NH4]+ 258.21760 165.7
[M+K]+ 279.14694 162.6
[M-H]- 239.17650 158.0
[M+Na-2H]- 261.15845 160.4
[M]+ 240.18323 159.4
[M]- 240.18433 159.4
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