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

131
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 148.2
[M+Na]+ 230.11515 156.9
[M-H]- 206.11865 150.6
[M+NH4]+ 225.15975 172.2
[M+K]+ 246.08909 154.2
[M+H-H2O]+ 190.12319 143.6
[M+HCOO]- 252.12413 168.6
[M+CH3COO]- 266.13978 183.7
[M+Na-2H]- 228.10060 150.2
[M]+ 207.12538 149.3
[M]- 207.12648 149.3
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