CID 53486407

1147103-42-1

Structural Information

Molecular Formula
C10H17NO2
SMILES
CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1
InChI
InChI=1S/C10H17NO2/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9/h7-9,11H,2-6H2,1H3/t7-,8-,9-/m0/s1
InChIKey
BFZUEHILBXRWGT-CIUDSAMLSA-N
Compound name
ethyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

183.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 144.5
[M+Na]+ 206.115148 150.1
[M-H]- 182.118654 145.6
[M+NH4]+ 201.159753 166.8
[M+K]+ 222.089088 148.2
[M+H-H2O]+ 166.123190 139.0
[M+HCOO]- 228.124131 162.5
[M+CH3COO]- 242.139781 177.8
[M+Na-2H]- 204.100596 144.9
[M]+ 183.12538142 141.2
[M]- 183.12647858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe