CID 69226101

1027333-18-1

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCCC(C2C1)N
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-5-4-6-11(14)10(9)8-15/h9-11H,4-8,14H2,1-3H3
InChIKey
IKTNEZKFSOMQJI-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 159.7
[M+Na]+ 263.17300 164.1
[M-H]- 239.17650 161.3
[M+NH4]+ 258.21760 178.5
[M+K]+ 279.14694 162.4
[M+H-H2O]+ 223.18104 153.8
[M+HCOO]- 285.18198 174.8
[M+CH3COO]- 299.19763 193.9
[M+Na-2H]- 261.15845 160.2
[M]+ 240.18323 155.2
[M]- 240.18433 155.2
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