CID 2859888

353484-61-4

Structural Information

Molecular Formula
C16H17NO4
SMILES
CCOC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C(=O)O
InChI
InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
InChIKey
MCLDLXLZBMYXOG-UHFFFAOYSA-N
Compound name
8-ethoxycarbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

287.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 165.2
[M+Na]+ 310.10497 171.6
[M-H]- 286.10847 166.2
[M+NH4]+ 305.14957 181.9
[M+K]+ 326.07891 167.4
[M+H-H2O]+ 270.11301 158.9
[M+HCOO]- 332.11395 179.6
[M+CH3COO]- 346.12960 197.2
[M+Na-2H]- 308.09042 166.2
[M]+ 287.11520 164.0
[M]- 287.11630 164.0
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.