CID 67490878

Schembl2670234

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)NC12CCCCC1CNC2
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-13-7-5-4-6-10(13)8-14-9-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKey
COJNHDCEWDUHMX-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

240.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 158.1
[M+Na]+ 263.17300 163.9
[M+NH4]+ 258.21760 166.4
[M+K]+ 279.14694 159.8
[M-H]- 239.17650 157.4
[M+Na-2H]- 261.15845 160.7
[M]+ 240.18323 158.4
[M]- 240.18433 158.4
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