CID 68096415

1346674-20-1

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCOC(=O)C1=CC2=C(N1)CC(C2)(C)C
InChI
InChI=1S/C12H17NO2/c1-4-15-11(14)9-5-8-6-12(2,3)7-10(8)13-9/h5,13H,4,6-7H2,1-3H3
InChIKey
FFRSZAKIQKRQED-UHFFFAOYSA-N
Compound name
ethyl 5,5-dimethyl-4,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

207.12593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.9
[M+Na]+ 230.11515 157.0
[M+NH4]+ 225.15975 156.9
[M+K]+ 246.08909 153.6
[M-H]- 206.11865 147.5
[M+Na-2H]- 228.10060 151.3
[M]+ 207.12538 148.9
[M]- 207.12648 148.9
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

patents stripe