CID 83487964

1252572-44-3

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCC(CC2C1)N
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-4-5-11(14)6-10(9)8-15/h9-11H,4-8,14H2,1-3H3
InChIKey
LLTJKZQPTQJCDC-UHFFFAOYSA-N
Compound name
tert-butyl 5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

240.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 157.4
[M+Na]+ 263.17300 164.1
[M+NH4]+ 258.21760 164.4
[M+K]+ 279.14694 162.0
[M-H]- 239.17650 157.2
[M+Na-2H]- 261.15845 158.0
[M]+ 240.18323 157.8
[M]- 240.18433 157.8
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

patents stripe