CID 99866910

1909294-31-0

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CNC2
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-13-6-4-5-10(13)7-14-8-13/h10,14H,4-9H2,1-3H3,(H,15,16)/t10-,13+/m0/s1
InChIKey
HQFTTWPKAOKSRO-GXFFZTMASA-N
Compound name
tert-butyl N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 160.9
[M+Na]+ 263.17300 164.8
[M-H]- 239.17650 161.7
[M+NH4]+ 258.21760 182.5
[M+K]+ 279.14694 162.8
[M+H-H2O]+ 223.18104 155.9
[M+HCOO]- 285.18198 177.4
[M+CH3COO]- 299.19763 189.1
[M+Na-2H]- 261.15845 163.3
[M]+ 240.18323 157.2
[M]- 240.18433 157.2
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.