CID 118753264

Ku8zb5f5vg

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCC1=C(C=C2CC(CC2=C1)NCC(=O)O)CC
InChI
InChI=1S/C15H21NO2/c1-3-10-5-12-7-14(16-9-15(17)18)8-13(12)6-11(10)4-2/h5-6,14,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKey
KGQOVDZGKWREBH-UHFFFAOYSA-N
Compound name
2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.15723 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.7
[M+Na]+ 270.14645 165.1
[M-H]- 246.14995 161.7
[M+NH4]+ 265.19105 178.3
[M+K]+ 286.12039 161.3
[M+H-H2O]+ 230.15449 152.9
[M+HCOO]- 292.15543 179.5
[M+CH3COO]- 306.17108 197.0
[M+Na-2H]- 268.13190 160.1
[M]+ 247.15668 158.9
[M]- 247.15778 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.