CID 18070974

1052596-68-5

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC1CC2=CC=CC=C2N1C(=O)C3CCCCC3C(=O)O
InChI
InChI=1S/C17H21NO3/c1-11-10-12-6-2-5-9-15(12)18(11)16(19)13-7-3-4-8-14(13)17(20)21/h2,5-6,9,11,13-14H,3-4,7-8,10H2,1H3,(H,20,21)
InChIKey
WPCKPUAXLIGPHK-UHFFFAOYSA-N
Compound name
2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 168.1
[M+Na]+ 310.14135 172.7
[M-H]- 286.14485 172.2
[M+NH4]+ 305.18595 184.2
[M+K]+ 326.11529 168.9
[M+H-H2O]+ 270.14939 160.9
[M+HCOO]- 332.15033 182.4
[M+CH3COO]- 346.16598 199.3
[M+Na-2H]- 308.12680 166.2
[M]+ 287.15158 163.4
[M]- 287.15268 163.4
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.