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 159.6
[M+Na]+ 263.17300 162.7
[M-H]- 239.17650 160.0
[M+NH4]+ 258.21760 177.7
[M+K]+ 279.14694 160.4
[M+H-H2O]+ 223.18104 153.6
[M+HCOO]- 285.18198 173.9
[M+CH3COO]- 299.19763 190.8
[M+Na-2H]- 261.15845 161.4
[M]+ 240.18323 153.8
[M]- 240.18433 153.8
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

No patent data available for this compound.