CID 43810662

1212387-46-6

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)NC1CCC2CNCC2C1
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-5-4-9-7-14-8-10(9)6-11/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKey
MAKONFGDMPDBED-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 157.8
[M+Na]+ 263.17300 163.8
[M+NH4]+ 258.21760 164.6
[M+K]+ 279.14694 161.7
[M-H]- 239.17650 157.2
[M+Na-2H]- 261.15845 158.5
[M]+ 240.18323 158.0
[M]- 240.18433 158.0
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

No patent data available for this compound.