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: 107
Patents: 207.12593 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.133206	148.2
[M+Na]+	230.115148	156.9
[M-H]-	206.118654	150.6
[M+NH4]+	225.159753	172.2
[M+K]+	246.089088	154.2
[M+H-H2O]+	190.123190	143.6
[M+HCOO]-	252.124131	168.6
[M+CH3COO]-	266.139781	183.7
[M+Na-2H]-	228.100596	150.2
[M]+	207.12538142	149.3
[M]-	207.12647858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe