CID 84048566

1784081-02-2

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C2C1)NC
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-5-6-11(14-4)10(9)8-15/h9-11,14H,5-8H2,1-4H3
InChIKey
AAABEKIIHAUONI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(methylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 160.8
[M+Na]+ 263.17300 165.9
[M-H]- 239.17650 163.4
[M+NH4]+ 258.21760 181.7
[M+K]+ 279.14694 164.7
[M+H-H2O]+ 223.18104 155.4
[M+HCOO]- 285.18198 178.7
[M+CH3COO]- 299.19763 194.4
[M+Na-2H]- 261.15845 161.1
[M]+ 240.18323 159.4
[M]- 240.18433 159.4
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

No patent data available for this compound.