CID 119848

28998-47-2

Structural Information

Molecular Formula
C16H21NO2
SMILES
C1CCC(CC1)C2=C(C=C3C(CCC3=C2)C(=O)O)N
InChI
InChI=1S/C16H21NO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7,17H2,(H,18,19)
InChIKey
VUDHKNQACVHAKK-UHFFFAOYSA-N
Compound name
6-amino-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 161.1
[M+Na]+ 282.14645 170.6
[M+NH4]+ 277.19105 169.7
[M+K]+ 298.12039 166.3
[M-H]- 258.14995 164.9
[M+Na-2H]- 280.13190 164.9
[M]+ 259.15668 163.2
[M]- 259.15778 163.2
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