CID 46928273

1182722-58-2

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C1CC2=C(C[C@@H]1N)C3=CC=CC=C3N2CCC(=O)O
InChI
InChI=1S/C15H18N2O2/c16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17(14)8-7-15(18)19/h1-4,10H,5-9,16H2,(H,18,19)/t10-/m1/s1
InChIKey
RRWZRHNYCZSEBR-SNVBAGLBSA-N
Compound name
3-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 158.3
[M+Na]+ 281.12606 169.5
[M+NH4]+ 276.17066 166.4
[M+K]+ 297.10000 165.1
[M-H]- 257.12956 160.2
[M+Na-2H]- 279.11151 161.8
[M]+ 258.13629 160.2
[M]- 258.13739 160.2
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

No patent data available for this compound.