CID 57444002

2-(2-amino-2,3-dihydro-1h-inden-2-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1C2=CC=CC=C2CC1(CC(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-11(7-10(13)14)5-8-3-1-2-4-9(8)6-11/h1-4H,5-7,12H2,(H,13,14)
InChIKey
BUBBNTKAGQQNKW-UHFFFAOYSA-N
Compound name
2-(2-amino-1,3-dihydroinden-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

191.09464 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.2
[M+Na]+ 214.083858 148.7
[M-H]- 190.087364 144.1
[M+NH4]+ 209.128463 164.4
[M+K]+ 230.057798 145.5
[M+H-H2O]+ 174.091900 136.5
[M+HCOO]- 236.092841 162.9
[M+CH3COO]- 250.108491 181.5
[M+Na-2H]- 212.069306 146.3
[M]+ 191.09409142 138.6
[M]- 191.09518858 138.6
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