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

13
Patents

191.09464 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.2
[M+Na]+ 214.08386 148.7
[M-H]- 190.08736 144.1
[M+NH4]+ 209.12846 164.4
[M+K]+ 230.05780 145.5
[M+H-H2O]+ 174.09190 136.5
[M+HCOO]- 236.09284 162.9
[M+CH3COO]- 250.10849 181.5
[M+Na-2H]- 212.06931 146.3
[M]+ 191.09409 138.6
[M]- 191.09519 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