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 160.6
[M+Na]+ 282.14645 164.9
[M-H]- 258.14995 165.6
[M+NH4]+ 277.19105 178.8
[M+K]+ 298.12039 160.5
[M+H-H2O]+ 242.15449 154.2
[M+HCOO]- 304.15543 177.6
[M+CH3COO]- 318.17108 196.4
[M+Na-2H]- 280.13190 159.9
[M]+ 259.15668 153.4
[M]- 259.15778 153.4
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

patents stripe