CID 71306003

1251013-07-6

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CCNCC[C@H]2C1
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-10-4-6-14-7-5-11(10)9-15/h10-11,14H,4-9H2,1-3H3/t10-,11+
InChIKey
SXVYKJHEKCFXFM-PHIMTYICSA-N
Compound name
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

240.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 156.3
[M+Na]+ 263.17300 161.7
[M+NH4]+ 258.21760 162.1
[M+K]+ 279.14694 161.0
[M-H]- 239.17650 154.6
[M+Na-2H]- 261.15845 157.1
[M]+ 240.18323 156.2
[M]- 240.18433 156.2
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