CID 115267765

1893764-79-8

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)NC1CC2CC(CC2C1)N
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-6-8-4-10(14)5-9(8)7-11/h8-11H,4-7,14H2,1-3H3,(H,15,16)
InChIKey
SJCUUGRNKSKSMY-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 159.3
[M+Na]+ 263.17300 163.6
[M-H]- 239.17650 162.7
[M+NH4]+ 258.21760 180.9
[M+K]+ 279.14694 162.0
[M+H-H2O]+ 223.18104 154.5
[M+HCOO]- 285.18198 178.8
[M+CH3COO]- 299.19763 196.2
[M+Na-2H]- 261.15845 159.4
[M]+ 240.18323 155.7
[M]- 240.18433 155.7
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.