CID 84048567

1780087-29-7

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C2C1)CN
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-10-5-4-9(6-14)11(10)8-15/h9-11H,4-8,14H2,1-3H3
InChIKey
GBPFKXPJCJSCBK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-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

9
Patents

240.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 161.2
[M+Na]+ 263.17300 166.3
[M-H]- 239.17650 163.3
[M+NH4]+ 258.21760 181.8
[M+K]+ 279.14694 164.8
[M+H-H2O]+ 223.18104 155.8
[M+HCOO]- 285.18198 178.5
[M+CH3COO]- 299.19763 193.8
[M+Na-2H]- 261.15845 160.4
[M]+ 240.18323 158.8
[M]- 240.18433 158.8
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.